AA74655
149505-91-9 | Methyl 3-(4-cyanophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA74655
ChemicalName
Methyl 3-(4-cyanophenyl)benzoate
CasNumber
149505-91-9
MolecularFormula
C15H11NO2
MolecularWeight
237.2533
MdlNumber
MFCD06801764
Smiles
N#Cc1ccc(cc1)c1cccc(c1)C(=O)OC
Complexity
336
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.8
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CatalogNumber: AA74655
ChemicalName: Methyl 3-(4-cyanophenyl)benzoate
CasNumber: 149505-91-9
MolecularFormula: C15H11NO2
MolecularWeight: 237.2533
MdlNumber: MFCD06801764
Smiles: N#Cc1ccc(cc1)c1cccc(c1)C(=O)OC
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.8
CatalogNumber:
AA74655
ChemicalName:
Methyl 3-(4-cyanophenyl)benzoate
CasNumber:
149505-91-9
MolecularFormula:
C15H11NO2
MolecularWeight:
237.2533
MdlNumber:
MFCD06801764
Smiles:
N#Cc1ccc(cc1)c1cccc(c1)C(=O)OC
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.8
CatalogNumber: AA74656
ChemicalName: 3'-Nitrobiphenyl-3-carboxylic acid
CasNumber: 149505-87-3
MolecularFormula: C13H9NO4
MolecularWeight: 243.2149
MdlNumber: MFCD06803016
Smiles: OC(=O)c1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA74656
ChemicalName:
3'-Nitrobiphenyl-3-carboxylic acid
CasNumber:
149505-87-3
MolecularFormula:
C13H9NO4
MolecularWeight:
243.2149
MdlNumber:
MFCD06803016
Smiles:
OC(=O)c1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
3.4
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Smiles: N#Cc1ccc(cc1)c1cccc(c1)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
N#Cc1ccc(cc1)c1cccc(c1)N
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCOC(=O)CC(c1cccnc1)N.Cl.Cl
Complexity: 185
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:
CCOC(=O)CC(c1cccnc1)N.Cl.Cl
Complexity:
185
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__