AA36384
1261943-53-6 | 4-(4-Cyanophenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36384
ChemicalName
4-(4-Cyanophenyl)nicotinic acid
CasNumber
1261943-53-6
MolecularFormula
C13H8N2O2
MolecularWeight
224.2148
MdlNumber
MFCD18323329
Smiles
N#Cc1ccc(cc1)c1ccncc1C(=O)O
Complexity
326
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AA36384
ChemicalName: 4-(4-Cyanophenyl)nicotinic acid
CasNumber: 1261943-53-6
MolecularFormula: C13H8N2O2
MolecularWeight: 224.2148
MdlNumber: MFCD18323329
Smiles: N#Cc1ccc(cc1)c1ccncc1C(=O)O
Complexity: 326
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AA36384
ChemicalName:
4-(4-Cyanophenyl)nicotinic acid
CasNumber:
1261943-53-6
MolecularFormula:
C13H8N2O2
MolecularWeight:
224.2148
MdlNumber:
MFCD18323329
Smiles:
N#Cc1ccc(cc1)c1ccncc1C(=O)O
Complexity:
326
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)c1cccc(c1)c1ccc(cc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)c1cccc(c1)c1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA36386
ChemicalName: 4-(4-Carboxyphenyl)-3-fluorobenzoic acid
CasNumber: 1261943-47-8
MolecularFormula: C14H9FO4
MolecularWeight: 260.21726320000005
MdlNumber: MFCD18320278
Smiles: OC(=O)c1ccc(cc1)c1ccc(cc1F)C(=O)O
Complexity: 349
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AA36386
ChemicalName:
4-(4-Carboxyphenyl)-3-fluorobenzoic acid
CasNumber:
1261943-47-8
MolecularFormula:
C14H9FO4
MolecularWeight:
260.21726320000005
MdlNumber:
MFCD18320278
Smiles:
OC(=O)c1ccc(cc1)c1ccc(cc1F)C(=O)O
Complexity:
349
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)c1cccc(c1)c1ccccc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)c1cccc(c1)c1ccccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__