AB66111
71682-94-5 | 3-Oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AB66111
ChemicalName
3-Oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile
CasNumber
71682-94-5
MolecularFormula
C10H6F3NO
MolecularWeight
213.1559
MdlNumber
MFCD02260793
Smiles
N#CCC(=O)c1ccc(cc1)C(F)(F)F
Complexity
281
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AB66111
ChemicalName: 3-Oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile
CasNumber: 71682-94-5
MolecularFormula: C10H6F3NO
MolecularWeight: 213.1559
MdlNumber: MFCD02260793
Smiles: N#CCC(=O)c1ccc(cc1)C(F)(F)F
Complexity: 281
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB66111
ChemicalName:
3-Oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile
CasNumber:
71682-94-5
MolecularFormula:
C10H6F3NO
MolecularWeight:
213.1559
MdlNumber:
MFCD02260793
Smiles:
N#CCC(=O)c1ccc(cc1)C(F)(F)F
Complexity:
281
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: AB66112
ChemicalName: 4-(Trifluoromethyl)cyclohexanecarboxylic acid
CasNumber: 95233-30-0
MolecularFormula: C8H11F3O2
MolecularWeight: 196.16694959999995
MdlNumber: MFCD00220049
Smiles: OC(=O)C1CCC(CC1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB66112
ChemicalName:
4-(Trifluoromethyl)cyclohexanecarboxylic acid
CasNumber:
95233-30-0
MolecularFormula:
C8H11F3O2
MolecularWeight:
196.16694959999995
MdlNumber:
MFCD00220049
Smiles:
OC(=O)C1CCC(CC1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1CCC(CC1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1CCC(CC1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB66114
ChemicalName: 4-(Trifluoromethyl)hydrocinnamic acid
CasNumber: 53473-36-2
MolecularFormula: C10H9F3O2
MolecularWeight: 218.17246960000008
MdlNumber: MFCD00192340
Smiles: OC(=O)CCc1ccc(cc1)C(F)(F)F
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AB66114
ChemicalName:
4-(Trifluoromethyl)hydrocinnamic acid
CasNumber:
53473-36-2
MolecularFormula:
C10H9F3O2
MolecularWeight:
218.17246960000008
MdlNumber:
MFCD00192340
Smiles:
OC(=O)CCc1ccc(cc1)C(F)(F)F
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.7