AB67314
1129-35-7 | Methyl 4-cyanobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB67314
ChemicalName
Methyl 4-cyanobenzoate
CasNumber
1129-35-7
MolecularFormula
C9H7NO2
MolecularWeight
161.1574
MdlNumber
MFCD00001823
Smiles
COC(=O)c1ccc(cc1)C#N
Complexity
208
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AB67314
ChemicalName: Methyl 4-cyanobenzoate
CasNumber: 1129-35-7
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD00001823
Smiles: COC(=O)c1ccc(cc1)C#N
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AB67314
ChemicalName:
Methyl 4-cyanobenzoate
CasNumber:
1129-35-7
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD00001823
Smiles:
COC(=O)c1ccc(cc1)C#N
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: AB67315
ChemicalName: 4-Cyanobenzoyl chloride
CasNumber: 6068-72-0
MolecularFormula: C8H4ClNO
MolecularWeight: 165.5765
MdlNumber: MFCD00001822
Smiles: N#Cc1ccc(cc1)C(=O)Cl
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB67315
ChemicalName:
4-Cyanobenzoyl chloride
CasNumber:
6068-72-0
MolecularFormula:
C8H4ClNO
MolecularWeight:
165.5765
MdlNumber:
MFCD00001822
Smiles:
N#Cc1ccc(cc1)C(=O)Cl
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: CCOc1ccc(cc1)/N=C/c1ccc(cc1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
CCOc1ccc(cc1)/N=C/c1ccc(cc1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOc1ccc(cc1)/N=C/c1ccc(cc1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOc1ccc(cc1)/N=C/c1ccc(cc1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__