AX24332
1275545-13-5 | 3-Quinolinecarboxylic acid, 6,8-dibromo-4-chloro-, ethyl ester
Manufacturer: A2B Chem
CAS Number: 1275545-13-5
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Catalog Number
AX24332
Chemical Name
3-Quinolinecarboxylic acid, 6,8-dibromo-4-chloro-, ethyl ester
Cas Number
1275545-13-5
Molecular Formula
C12H8Br2ClNO2
Molecular Weight
393.4584
Mdl Number
MFCD16181536
Smiles
CCOC(=O)c1cnc2c(c1Cl)cc(cc2Br)Br
Complexity
319
Covalently-Bonded Unit Count
1
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Xlogp3
4.4
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Catalog Number: AX24332
Chemical Name: 3-Quinolinecarboxylic acid, 6,8-dibromo-4-chloro-, ethyl ester
Cas Number: 1275545-13-5
Molecular Formula: C12H8Br2ClNO2
Molecular Weight: 393.4584
Mdl Number: MFCD16181536
Smiles: CCOC(=O)c1cnc2c(c1Cl)cc(cc2Br)Br
Complexity: 319
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 18
Hydrogen Bond Acceptor Count: 3
Rotatable Bond Count: 3
Xlogp3: 4.4
Catalog Number:
AX24332
Chemical Name:
3-Quinolinecarboxylic acid, 6,8-dibromo-4-chloro-, ethyl ester
Cas Number:
1275545-13-5
Molecular Formula:
C12H8Br2ClNO2
Molecular Weight:
393.4584
Mdl Number:
MFCD16181536
Smiles:
CCOC(=O)c1cnc2c(c1Cl)cc(cc2Br)Br
Complexity:
319
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Xlogp3:
4.4
Catalog Number: AX24333
Chemical Name: Boronic acid, [3-cyano-4-(2-methylpropoxy)phenyl]-
Cas Number: 876918-32-0
Molecular Formula: C11H14BNO3
Molecular Weight: 219.0448
Mdl Number: MFCD26387475
Smiles: N#Cc1cc(ccc1OCC(C)C)B(O)O
Complexity: 261
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 16
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 4
Xlogp3: __
Catalog Number:
AX24333
Chemical Name:
Boronic acid, [3-cyano-4-(2-methylpropoxy)phenyl]-
Cas Number:
876918-32-0
Molecular Formula:
C11H14BNO3
Molecular Weight:
219.0448
Mdl Number:
MFCD26387475
Smiles:
N#Cc1cc(ccc1OCC(C)C)B(O)O
Complexity:
261
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Xlogp3:
__
Catalog Number: AX24334
Chemical Name: (3R,6R)-6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Cas Number: 1253200-91-7
Molecular Formula: C12H21NO4
Molecular Weight: 243.2994
Mdl Number: MFCD27997476
Smiles: CC1CCC(CN1C(=O)OC(C)(C)C)C(=O)O
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AX24334
Chemical Name:
(3R,6R)-6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Cas Number:
1253200-91-7
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
Mdl Number:
MFCD27997476
Smiles:
CC1CCC(CN1C(=O)OC(C)(C)C)C(=O)O
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__
Catalog Number: AX24335
Chemical Name: 1,4-Cyclohexadiene-1-methanol, 4-methyl-
Cas Number: 67086-95-7
Molecular Formula: C8H12O
Molecular Weight: 124.1803
Mdl Number: MFCD31801304
Smiles: CC1=CCC(=CC1)CO
Complexity: 154
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 9
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 1
Xlogp3: 0.7
Catalog Number:
AX24335
Chemical Name:
1,4-Cyclohexadiene-1-methanol, 4-methyl-
Cas Number:
67086-95-7
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
Mdl Number:
MFCD31801304
Smiles:
CC1=CCC(=CC1)CO
Complexity:
154
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Xlogp3:
0.7