AB54104
42872-30-0 | 2-(3-Benzoylphenyl)propionitrile
Manufacturer: A2B Chem
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CatalogNumber
AB54104
ChemicalName
2-(3-Benzoylphenyl)propionitrile
CasNumber
42872-30-0
MolecularFormula
C16H13NO
MolecularWeight
235.2805
MdlNumber
MFCD00044435
Smiles
N#CC(c1cccc(c1)C(=O)c1ccccc1)C
Complexity
334
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3.3
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CatalogNumber: AB54104
ChemicalName: 2-(3-Benzoylphenyl)propionitrile
CasNumber: 42872-30-0
MolecularFormula: C16H13NO
MolecularWeight: 235.2805
MdlNumber: MFCD00044435
Smiles: N#CC(c1cccc(c1)C(=O)c1ccccc1)C
Complexity: 334
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.3
CatalogNumber:
AB54104
ChemicalName:
2-(3-Benzoylphenyl)propionitrile
CasNumber:
42872-30-0
MolecularFormula:
C16H13NO
MolecularWeight:
235.2805
MdlNumber:
MFCD00044435
Smiles:
N#CC(c1cccc(c1)C(=O)c1ccccc1)C
Complexity:
334
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.3
CatalogNumber: AB54105
ChemicalName: 2-(4-Chloro-3-nitrobenzoyl)benzoic acid
CasNumber: 85-54-1
MolecularFormula: C14H8ClNO5
MolecularWeight: 305.67
MdlNumber: MFCD00007082
Smiles: O=C(c1ccccc1C(=O)O)c1ccc(c(c1)[N+](=O)[O-])Cl
Complexity: 436
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 3.4
CatalogNumber:
AB54105
ChemicalName:
2-(4-Chloro-3-nitrobenzoyl)benzoic acid
CasNumber:
85-54-1
MolecularFormula:
C14H8ClNO5
MolecularWeight:
305.67
MdlNumber:
MFCD00007082
Smiles:
O=C(c1ccccc1C(=O)O)c1ccc(c(c1)[N+](=O)[O-])Cl
Complexity:
436
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCOc1ccc(cc1)Cl
Complexity: 155
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCOc1ccc(cc1)Cl
Complexity:
155
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(c1ccc(cc1)Cl)C(=O)Cl)C
Complexity: 196
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(c1ccc(cc1)Cl)C(=O)Cl)C
Complexity:
196
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.4