AV18828
1276541-99-1 | 3-(3,5-Difluorophenyl)-1H-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
CAS Number: 1276541-99-1
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Catalog Number
AV18828
Chemical Name
3-(3,5-Difluorophenyl)-1H-pyrazole-5-carboxylic acid
Cas Number
1276541-99-1
Molecular Formula
C10H6F2N2O2
Molecular Weight
224.1636
Mdl Number
MFCD17193828
Smiles
OC(=O)c1cc([nH]n1)c1cc(F)cc(c1)F
Complexity
268
Covalently-Bonded Unit Count
1
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
2
Rotatable Bond Count
2
Xlogp3
1.9
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Compare Similar Items
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Catalog Number: AV18828
Chemical Name: 3-(3,5-Difluorophenyl)-1H-pyrazole-5-carboxylic acid
Cas Number: 1276541-99-1
Molecular Formula: C10H6F2N2O2
Molecular Weight: 224.1636
Mdl Number: MFCD17193828
Smiles: OC(=O)c1cc([nH]n1)c1cc(F)cc(c1)F
Complexity: 268
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 16
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 2
Rotatable Bond Count: 2
Xlogp3: 1.9
Catalog Number:
AV18828
Chemical Name:
3-(3,5-Difluorophenyl)-1H-pyrazole-5-carboxylic acid
Cas Number:
1276541-99-1
Molecular Formula:
C10H6F2N2O2
Molecular Weight:
224.1636
Mdl Number:
MFCD17193828
Smiles:
OC(=O)c1cc([nH]n1)c1cc(F)cc(c1)F
Complexity:
268
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Rotatable Bond Count:
2
Xlogp3:
1.9
Catalog Number: AV18829
Chemical Name: (E)-5-(4-IODOBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE
Cas Number: 90947-00-5
Molecular Formula: C10H6INOS2
Molecular Weight: 347.1952
Mdl Number: MFCD00449708
Smiles: O=C1NC(=S)S/C/1=C/c1ccc(cc1)I
Complexity: 321
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 15
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 1
Xlogp3: 3.4
Catalog Number:
AV18829
Chemical Name:
(E)-5-(4-IODOBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE
Cas Number:
90947-00-5
Molecular Formula:
C10H6INOS2
Molecular Weight:
347.1952
Mdl Number:
MFCD00449708
Smiles:
O=C1NC(=S)S/C/1=C/c1ccc(cc1)I
Complexity:
321
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
1
Xlogp3:
3.4
Catalog Number: AV18830
Chemical Name: 3-(Hydroxymethyl)-4-methyl-1H-1,2,4-triazol-5(4H)-one
Cas Number: 1182358-83-3
Molecular Formula: C4H7N3O2
Molecular Weight: 129.1173
Mdl Number: MFCD22393449
Smiles: Cn1c(CO)n[nH]c1=O
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AV18830
Chemical Name:
3-(Hydroxymethyl)-4-methyl-1H-1,2,4-triazol-5(4H)-one
Cas Number:
1182358-83-3
Molecular Formula:
C4H7N3O2
Molecular Weight:
129.1173
Mdl Number:
MFCD22393449
Smiles:
Cn1c(CO)n[nH]c1=O
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: O=C(N1CCC(CC1)/C=C/B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 472
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
O=C(N1CCC(CC1)/C=C/B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
472
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__