AB62929
36854-57-6 | 2-Phenylbutyryl chloride
Manufacturer: A2B Chem
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CatalogNumber
AB62929
ChemicalName
2-Phenylbutyryl chloride
CasNumber
36854-57-6
MolecularFormula
C10H11ClO
MolecularWeight
182.64674000000008
MdlNumber
MFCD00018811
Smiles
CCC(c1ccccc1)C(=O)Cl
NscNumber
86133
Complexity
150
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3.3
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CatalogNumber: AB62929
ChemicalName: 2-Phenylbutyryl chloride
CasNumber: 36854-57-6
MolecularFormula: C10H11ClO
MolecularWeight: 182.64674000000008
MdlNumber: MFCD00018811
Smiles: CCC(c1ccccc1)C(=O)Cl
NscNumber: 86133
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.3
CatalogNumber:
AB62929
ChemicalName:
2-Phenylbutyryl chloride
CasNumber:
36854-57-6
MolecularFormula:
C10H11ClO
MolecularWeight:
182.64674000000008
MdlNumber:
MFCD00018811
Smiles:
CCC(c1ccccc1)C(=O)Cl
NscNumber:
86133
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CC(Oc2c1cccc2)c1ccccc1
NscNumber: __
Complexity: 281
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CC(Oc2c1cccc2)c1ccccc1
NscNumber:
__
Complexity:
281
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=C=NCCc1ccccc1
NscNumber: __
Complexity: 144
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=C=NCCc1ccccc1
NscNumber:
__
Complexity:
144
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OP(=O)(CCc1ccccc1)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OP(=O)(CCc1ccccc1)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__