AB44743
709-63-7 | 4-Acetylbenzotrifluoride
Manufacturer: A2B Chem
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CatalogNumber
AB44743
ChemicalName
4-Acetylbenzotrifluoride
CasNumber
709-63-7
MolecularFormula
C9H7F3O
MolecularWeight
188.1465
MdlNumber
MFCD00000401
Smiles
CC(=O)c1ccc(cc1)C(F)(F)F
NscNumber
88346
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AB44743
ChemicalName: 4-Acetylbenzotrifluoride
CasNumber: 709-63-7
MolecularFormula: C9H7F3O
MolecularWeight: 188.1465
MdlNumber: MFCD00000401
Smiles: CC(=O)c1ccc(cc1)C(F)(F)F
NscNumber: 88346
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB44743
ChemicalName:
4-Acetylbenzotrifluoride
CasNumber:
709-63-7
MolecularFormula:
C9H7F3O
MolecularWeight:
188.1465
MdlNumber:
MFCD00000401
Smiles:
CC(=O)c1ccc(cc1)C(F)(F)F
NscNumber:
88346
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: AB44744
ChemicalName: 1-(Bromomethyl)-4-(trifluoromethyl)benzene
CasNumber: 402-49-3
MolecularFormula: C8H6BrF3
MolecularWeight: 239.0324
MdlNumber: MFCD00000403
Smiles: BrCc1ccc(cc1)C(F)(F)F
NscNumber: __
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AB44744
ChemicalName:
1-(Bromomethyl)-4-(trifluoromethyl)benzene
CasNumber:
402-49-3
MolecularFormula:
C8H6BrF3
MolecularWeight:
239.0324
MdlNumber:
MFCD00000403
Smiles:
BrCc1ccc(cc1)C(F)(F)F
NscNumber:
__
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.5
CatalogNumber: AB44745
ChemicalName: 4-(Trifluoromethyl)benzylamine
CasNumber: 3300-51-4
MolecularFormula: C8H8F3N
MolecularWeight: 175.151
MdlNumber: MFCD00010220
Smiles: NCc1ccc(cc1)C(F)(F)F
NscNumber: __
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB44745
ChemicalName:
4-(Trifluoromethyl)benzylamine
CasNumber:
3300-51-4
MolecularFormula:
C8H8F3N
MolecularWeight:
175.151
MdlNumber:
MFCD00010220
Smiles:
NCc1ccc(cc1)C(F)(F)F
NscNumber:
__
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C=Nc1ccc(cc1)C(F)(F)F
NscNumber: __
Complexity: 212
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C=Nc1ccc(cc1)C(F)(F)F
NscNumber:
__
Complexity:
212
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6