AI58931
881040-67-1 | 1-[Chloro(phenyl)methyl]-2-(trifluoromethyl)benzene
Manufacturer: A2B Chem
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CatalogNumber
AI58931
ChemicalName
1-[Chloro(phenyl)methyl]-2-(trifluoromethyl)benzene
CasNumber
881040-67-1
MolecularFormula
C14H10ClF3
MolecularWeight
270.6774
MdlNumber
MFCD04967003
Smiles
ClC(c1ccccc1C(F)(F)F)c1ccccc1
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
4.9
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CatalogNumber: AI58931
ChemicalName: 1-[Chloro(phenyl)methyl]-2-(trifluoromethyl)benzene
CasNumber: 881040-67-1
MolecularFormula: C14H10ClF3
MolecularWeight: 270.6774
MdlNumber: MFCD04967003
Smiles: ClC(c1ccccc1C(F)(F)F)c1ccccc1
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.9
CatalogNumber:
AI58931
ChemicalName:
1-[Chloro(phenyl)methyl]-2-(trifluoromethyl)benzene
CasNumber:
881040-67-1
MolecularFormula:
C14H10ClF3
MolecularWeight:
270.6774
MdlNumber:
MFCD04967003
Smiles:
ClC(c1ccccc1C(F)(F)F)c1ccccc1
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.9
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Smiles: COC(=O)c1cc2c([nH]1)cc(cc2)CC
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Xlogp3: __
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Smiles:
COC(=O)c1cc2c([nH]1)cc(cc2)CC
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: CCOc1cc(CCN2CC(CC2=O)C(=O)O)ccc1OCC
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Smiles:
CCOc1cc(CCN2CC(CC2=O)C(=O)O)ccc1OCC
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Smiles: NCCCc1c(O)n[nH]c1c1ccc(cc1Cl)Cl
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
NCCCc1c(O)n[nH]c1c1ccc(cc1Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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