AF37246
214759-66-7 | Methyl 3-chloro-4-cyanobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF37246
ChemicalName
Methyl 3-chloro-4-cyanobenzoate
CasNumber
214759-66-7
MolecularFormula
C9H6ClNO2
MolecularWeight
195.6024
MdlNumber
MFCD12756074
Smiles
COC(=O)c1ccc(c(c1)Cl)C#N
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AF37246
ChemicalName: Methyl 3-chloro-4-cyanobenzoate
CasNumber: 214759-66-7
MolecularFormula: C9H6ClNO2
MolecularWeight: 195.6024
MdlNumber: MFCD12756074
Smiles: COC(=O)c1ccc(c(c1)Cl)C#N
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AF37246
ChemicalName:
Methyl 3-chloro-4-cyanobenzoate
CasNumber:
214759-66-7
MolecularFormula:
C9H6ClNO2
MolecularWeight:
195.6024
MdlNumber:
MFCD12756074
Smiles:
COC(=O)c1ccc(c(c1)Cl)C#N
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.1
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Smiles: CC(=O)NC1=C(C(=C(C=C1[N+](=O)[O-])F)F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(=O)NC1=C(C(=C(C=C1[N+](=O)[O-])F)F)F
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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__
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Smiles: Nc1c(N)ccnc1Cl.Cl.Cl
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Smiles:
Nc1c(N)ccnc1Cl.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: Fc1ccc2c(c1)c(Cl)cnn2
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HydrogenBondAcceptorCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Fc1ccc2c(c1)c(Cl)cnn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__