AA91541
173316-38-6 | 2-(Cyclopentylamino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA91541
ChemicalName
2-(Cyclopentylamino)benzonitrile
CasNumber
173316-38-6
MolecularFormula
C12H14N2
MolecularWeight
186.253
MdlNumber
MFCD11144623
Smiles
N#Cc1ccccc1NC1CCCC1
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AA91541
ChemicalName: 2-(Cyclopentylamino)benzonitrile
CasNumber: 173316-38-6
MolecularFormula: C12H14N2
MolecularWeight: 186.253
MdlNumber: MFCD11144623
Smiles: N#Cc1ccccc1NC1CCCC1
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA91541
ChemicalName:
2-(Cyclopentylamino)benzonitrile
CasNumber:
173316-38-6
MolecularFormula:
C12H14N2
MolecularWeight:
186.253
MdlNumber:
MFCD11144623
Smiles:
N#Cc1ccccc1NC1CCCC1
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccccc1NC1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccccc1NC1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA91543
ChemicalName: 2-Chloro-4-fluoro-3-methylbenzoic acid
CasNumber: 173315-54-3
MolecularFormula: C8H6ClFO2
MolecularWeight: 188.5834
MdlNumber: MFCD11846444
Smiles: OC(=O)c1ccc(c(c1Cl)C)F
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AA91543
ChemicalName:
2-Chloro-4-fluoro-3-methylbenzoic acid
CasNumber:
173315-54-3
MolecularFormula:
C8H6ClFO2
MolecularWeight:
188.5834
MdlNumber:
MFCD11846444
Smiles:
OC(=O)c1ccc(c(c1Cl)C)F
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOc1cc(nc(c1)C(=O)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOc1cc(nc(c1)C(=O)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__