AC58126
79560-19-3 | 4-(3,4-Dichlorophenyl)-1-tetralone
Manufacturer: A2B Chem
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CatalogNumber
AC58126
ChemicalName
4-(3,4-Dichlorophenyl)-1-tetralone
CasNumber
79560-19-3
MolecularFormula
C16H12Cl2O
MolecularWeight
291.1719
MdlNumber
MFCD02093088
Smiles
O=C1CCC(c2c1cccc2)c1ccc(c(c1)Cl)Cl
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
4.7
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CatalogNumber: AC58126
ChemicalName: 4-(3,4-Dichlorophenyl)-1-tetralone
CasNumber: 79560-19-3
MolecularFormula: C16H12Cl2O
MolecularWeight: 291.1719
MdlNumber: MFCD02093088
Smiles: O=C1CCC(c2c1cccc2)c1ccc(c(c1)Cl)Cl
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.7
CatalogNumber:
AC58126
ChemicalName:
4-(3,4-Dichlorophenyl)-1-tetralone
CasNumber:
79560-19-3
MolecularFormula:
C16H12Cl2O
MolecularWeight:
291.1719
MdlNumber:
MFCD02093088
Smiles:
O=C1CCC(c2c1cccc2)c1ccc(c(c1)Cl)Cl
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(CCC=CC(=O)CCc2ccccc2)ccc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(CCC=CC(=O)CCc2ccccc2)ccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AC58139
ChemicalName: Methyl 2,6-difluoro-4-methylbenzoate
CasNumber: 79538-30-0
MolecularFormula: C9H8F2O2
MolecularWeight: 186.1554
MdlNumber: MFCD23135649
Smiles: COC(=O)c1c(F)cc(cc1F)C
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.3
CatalogNumber:
AC58139
ChemicalName:
Methyl 2,6-difluoro-4-methylbenzoate
CasNumber:
79538-30-0
MolecularFormula:
C9H8F2O2
MolecularWeight:
186.1554
MdlNumber:
MFCD23135649
Smiles:
COC(=O)c1c(F)cc(cc1F)C
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.3