AA84604
16282-16-9 | 1,2-Diphenyl-butan-1-one
Manufacturer: A2B Chem
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CatalogNumber
AA84604
ChemicalName
1,2-Diphenyl-butan-1-one
CasNumber
16282-16-9
MolecularFormula
C16H16O
MolecularWeight
224.2976
MdlNumber
MFCD00010344
Smiles
CCC(C(=O)c1ccccc1)c1ccccc1
NscNumber
168889
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
3.6
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CatalogNumber: AA84604
ChemicalName: 1,2-Diphenyl-butan-1-one
CasNumber: 16282-16-9
MolecularFormula: C16H16O
MolecularWeight: 224.2976
MdlNumber: MFCD00010344
Smiles: CCC(C(=O)c1ccccc1)c1ccccc1
NscNumber: 168889
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.6
CatalogNumber:
AA84604
ChemicalName:
1,2-Diphenyl-butan-1-one
CasNumber:
16282-16-9
MolecularFormula:
C16H16O
MolecularWeight:
224.2976
MdlNumber:
MFCD00010344
Smiles:
CCC(C(=O)c1ccccc1)c1ccccc1
NscNumber:
168889
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.6
CatalogNumber: AA84605
ChemicalName: Methyl 4-(1-bromoethyl)benzoate
CasNumber: 16281-97-3
MolecularFormula: C10H11BrO2
MolecularWeight: 243.0971
MdlNumber: MFCD18452043
Smiles: COC(=O)c1ccc(cc1)C(Br)C
NscNumber: __
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.3
CatalogNumber:
AA84605
ChemicalName:
Methyl 4-(1-bromoethyl)benzoate
CasNumber:
16281-97-3
MolecularFormula:
C10H11BrO2
MolecularWeight:
243.0971
MdlNumber:
MFCD18452043
Smiles:
COC(=O)c1ccc(cc1)C(Br)C
NscNumber:
__
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1)C(=O)OC)CBr
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1)C(=O)OC)CBr
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__