AY12746
728878-13-5 | 4-(4-Phenyl-1,3-butadiyn-1-yl)benzoic acid
Manufacturer: A2B Chem
CAS Number: 728878-13-5
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| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 100mg | AY12746-100mg | In Stock | ₹ 16,643.00 |
AY12746 - 100mg
In Stock
Quantity
1
Base Price: ₹ 16,643.00
GST (18%): ₹ 2,995.74
Total Price: ₹ 19,638.74
Catalog Number
AY12746
Chemical Name
4-(4-Phenyl-1,3-butadiyn-1-yl)benzoic acid
Cas Number
728878-13-5
Molecular Formula
C17H10O2
Molecular Weight
246.2601
Mdl Number
MFCD25121848
Smiles
OC(=O)c1ccc(cc1)C#CC#Cc1ccccc1
Complexity
437
Covalently-Bonded Unit Count
1
Heavy Atom Count
19
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
1
Rotatable Bond Count
4
Xlogp3
3.9
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 4-(Phenylbuta-1,3-diyn-1-yl)benzoic acid | ChemScene | ₹ 13,795.00 - ₹ 53,400.00 |
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Catalog Number: AY12746
Chemical Name: 4-(4-Phenyl-1,3-butadiyn-1-yl)benzoic acid
Cas Number: 728878-13-5
Molecular Formula: C17H10O2
Molecular Weight: 246.2601
Mdl Number: MFCD25121848
Smiles: OC(=O)c1ccc(cc1)C#CC#Cc1ccccc1
Complexity: 437
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 19
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 4
Xlogp3: 3.9
Catalog Number:
AY12746
Chemical Name:
4-(4-Phenyl-1,3-butadiyn-1-yl)benzoic acid
Cas Number:
728878-13-5
Molecular Formula:
C17H10O2
Molecular Weight:
246.2601
Mdl Number:
MFCD25121848
Smiles:
OC(=O)c1ccc(cc1)C#CC#Cc1ccccc1
Complexity:
437
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
4
Xlogp3:
3.9
Catalog Number: AY12751
Chemical Name: 3-Methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide
Cas Number: 2246862-47-3
Molecular Formula: C20H24BNO3
Molecular Weight: 337.2205
Mdl Number: MFCD32206447
Smiles: Cc1cccc(c1)C(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 477
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 25
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 3
Xlogp3: __
Catalog Number:
AY12751
Chemical Name:
3-Methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide
Cas Number:
2246862-47-3
Molecular Formula:
C20H24BNO3
Molecular Weight:
337.2205
Mdl Number:
MFCD32206447
Smiles:
Cc1cccc(c1)C(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
477
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
3
Xlogp3:
__
Catalog Number: AY12752
Chemical Name: 2-Methoxy-N-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
Cas Number: 2246871-89-4
Molecular Formula: C16H24BNO5
Molecular Weight: 321.1765
Mdl Number: MFCD32206512
Smiles: COCC(=O)Nc1ccc(cc1OC)B1OC(C(O1)(C)C)(C)C
Complexity: 413
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 23
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 5
Xlogp3: __
Catalog Number:
AY12752
Chemical Name:
2-Methoxy-N-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
Cas Number:
2246871-89-4
Molecular Formula:
C16H24BNO5
Molecular Weight:
321.1765
Mdl Number:
MFCD32206512
Smiles:
COCC(=O)Nc1ccc(cc1OC)B1OC(C(O1)(C)C)(C)C
Complexity:
413
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
5
Xlogp3:
__
Catalog Number: AY12754
Chemical Name: 1-(2-Bromobenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Cas Number: 1430751-10-2
Molecular Formula: C16H20BBrN2O2
Molecular Weight: 363.0572
Mdl Number: MFCD28718225
Smiles: Brc1ccccc1Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 392
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 22
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: __
Rotatable Bond Count: 3
Xlogp3: __
Catalog Number:
AY12754
Chemical Name:
1-(2-Bromobenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Cas Number:
1430751-10-2
Molecular Formula:
C16H20BBrN2O2
Molecular Weight:
363.0572
Mdl Number:
MFCD28718225
Smiles:
Brc1ccccc1Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
392
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
3
Xlogp3:
__