AH84413
89900-98-1 | Methyl 4-(2-cyanophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AH84413
ChemicalName
Methyl 4-(2-cyanophenyl)benzoate
CasNumber
89900-98-1
MolecularFormula
C15H11NO2
MolecularWeight
237.2533
MdlNumber
MFCD05981835
Smiles
COC(=O)c1ccc(cc1)c1ccccc1C#N
Complexity
336
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AH84413
ChemicalName: Methyl 4-(2-cyanophenyl)benzoate
CasNumber: 89900-98-1
MolecularFormula: C15H11NO2
MolecularWeight: 237.2533
MdlNumber: MFCD05981835
Smiles: COC(=O)c1ccc(cc1)c1ccccc1C#N
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AH84413
ChemicalName:
Methyl 4-(2-cyanophenyl)benzoate
CasNumber:
89900-98-1
MolecularFormula:
C15H11NO2
MolecularWeight:
237.2533
MdlNumber:
MFCD05981835
Smiles:
COC(=O)c1ccc(cc1)c1ccccc1C#N
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.1
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Smiles: OC(=O)c1ccc(o1)c1ccccc1OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)c1ccc(o1)c1ccccc1OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: COC(=O)c1ccc(cc1)c1ccccc1Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)c1ccccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cccc(c1)c1ccco1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cccc(c1)c1ccco1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__