AA82005
159847-71-9 | 3-Amino-4-cyanobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA82005
ChemicalName
3-Amino-4-cyanobenzoic acid
CasNumber
159847-71-9
MolecularFormula
C8H6N2O2
MolecularWeight
162.1454
MdlNumber
MFCD20640420
Smiles
N#Cc1ccc(cc1N)C(=O)O
Complexity
231
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AA82005
ChemicalName: 3-Amino-4-cyanobenzoic acid
CasNumber: 159847-71-9
MolecularFormula: C8H6N2O2
MolecularWeight: 162.1454
MdlNumber: MFCD20640420
Smiles: N#Cc1ccc(cc1N)C(=O)O
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AA82005
ChemicalName:
3-Amino-4-cyanobenzoic acid
CasNumber:
159847-71-9
MolecularFormula:
C8H6N2O2
MolecularWeight:
162.1454
MdlNumber:
MFCD20640420
Smiles:
N#Cc1ccc(cc1N)C(=O)O
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(c(c1)OCc1ccccc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(c(c1)OCc1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)C=Nc1c(nnc2c1cc(F)c(c2)Cl)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)C=Nc1c(nnc2c1cc(F)c(c2)Cl)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1nnc2c(c1N=CC=Cc1ccccc1)cc(c(c2)Cl)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1nnc2c(c1N=CC=Cc1ccccc1)cc(c(c2)Cl)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__