AB79762
959-28-4 | Trans-1,2-dibenzoylethylene
Manufacturer: A2B Chem
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CatalogNumber
AB79762
ChemicalName
Trans-1,2-dibenzoylethylene
CasNumber
959-28-4
MolecularFormula
C16H12O2
MolecularWeight
236.26528
MdlNumber
MFCD00003083
Smiles
O=C(c1ccccc1)/C=C/C(=O)c1ccccc1
Complexity
286
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
2
RotatableBondCount
4
Xlogp3
3.2
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CatalogNumber: AB79762
ChemicalName: Trans-1,2-dibenzoylethylene
CasNumber: 959-28-4
MolecularFormula: C16H12O2
MolecularWeight: 236.26528
MdlNumber: MFCD00003083
Smiles: O=C(c1ccccc1)/C=C/C(=O)c1ccccc1
Complexity: 286
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 3.2
CatalogNumber:
AB79762
ChemicalName:
Trans-1,2-dibenzoylethylene
CasNumber:
959-28-4
MolecularFormula:
C16H12O2
MolecularWeight:
236.26528
MdlNumber:
MFCD00003083
Smiles:
O=C(c1ccccc1)/C=C/C(=O)c1ccccc1
Complexity:
286
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Br[C@@H]1CCCC[C@H]1Br
Complexity: 62.9
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Br[C@@H]1CCCC[C@H]1Br
Complexity:
62.9
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cl[C@H]1CCCC[C@@H]1Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cl[C@H]1CCCC[C@@H]1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#C/C(=C(c1c(C)sc(c1C)C)/C#N)/c1c(C)sc(c1C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#C/C(=C(c1c(C)sc(c1C)C)/C#N)/c1c(C)sc(c1C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__