AB70564
433-97-6 | 2-(Trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB70564
ChemicalName
2-(Trifluoromethyl)benzoic acid
CasNumber
433-97-6
MolecularFormula
C8H5F3O2
MolecularWeight
190.1193
MdlNumber
MFCD00002476
Smiles
OC(=O)c1ccccc1C(F)(F)F
NscNumber
88326
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AB70564
ChemicalName: 2-(Trifluoromethyl)benzoic acid
CasNumber: 433-97-6
MolecularFormula: C8H5F3O2
MolecularWeight: 190.1193
MdlNumber: MFCD00002476
Smiles: OC(=O)c1ccccc1C(F)(F)F
NscNumber: 88326
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB70564
ChemicalName:
2-(Trifluoromethyl)benzoic acid
CasNumber:
433-97-6
MolecularFormula:
C8H5F3O2
MolecularWeight:
190.1193
MdlNumber:
MFCD00002476
Smiles:
OC(=O)c1ccccc1C(F)(F)F
NscNumber:
88326
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AB70565
ChemicalName: 4-(Trifluoromethyl)benzonitrile
CasNumber: 455-18-5
MolecularFormula: C8H4F3N
MolecularWeight: 171.1193
MdlNumber: MFCD00001826
Smiles: N#Cc1ccc(cc1)C(F)(F)F
NscNumber: 88340
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
AB70565
ChemicalName:
4-(Trifluoromethyl)benzonitrile
CasNumber:
455-18-5
MolecularFormula:
C8H4F3N
MolecularWeight:
171.1193
MdlNumber:
MFCD00001826
Smiles:
N#Cc1ccc(cc1)C(F)(F)F
NscNumber:
88340
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)C(c1ccc(cc1)C(c1ccc(cc1)O)(c1ccc(cc1)O)C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)C(c1ccc(cc1)C(c1ccc(cc1)O)(c1ccc(cc1)O)C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(cc1)N)(c1ccc(cc1)C(c1ccc(cc1)N)(C)C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(cc1)N)(c1ccc(cc1)C(c1ccc(cc1)N)(C)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__