AA82002
159847-81-1 | Methyl 2-amino-5-cyanobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA82002
ChemicalName
Methyl 2-amino-5-cyanobenzoate
CasNumber
159847-81-1
MolecularFormula
C9H8N2O2
MolecularWeight
176.172
MdlNumber
MFCD11041293
Smiles
COC(=O)c1cc(C#N)ccc1N
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AA82002
ChemicalName: Methyl 2-amino-5-cyanobenzoate
CasNumber: 159847-81-1
MolecularFormula: C9H8N2O2
MolecularWeight: 176.172
MdlNumber: MFCD11041293
Smiles: COC(=O)c1cc(C#N)ccc1N
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AA82002
ChemicalName:
Methyl 2-amino-5-cyanobenzoate
CasNumber:
159847-81-1
MolecularFormula:
C9H8N2O2
MolecularWeight:
176.172
MdlNumber:
MFCD11041293
Smiles:
COC(=O)c1cc(C#N)ccc1N
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1)C#N)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1)C#N)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1c(F)c(N)cc(c1F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(F)c(N)cc(c1F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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