AB44278
454-92-2 | 3-(Trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44278
ChemicalName
3-(Trifluoromethyl)benzoic acid
CasNumber
454-92-2
MolecularFormula
C8H5F3O2
MolecularWeight
190.1193
MdlNumber
MFCD00002519
Smiles
OC(=O)c1cccc(c1)C(F)(F)F
NscNumber
43025
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AB44278
ChemicalName: 3-(Trifluoromethyl)benzoic acid
CasNumber: 454-92-2
MolecularFormula: C8H5F3O2
MolecularWeight: 190.1193
MdlNumber: MFCD00002519
Smiles: OC(=O)c1cccc(c1)C(F)(F)F
NscNumber: 43025
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB44278
ChemicalName:
3-(Trifluoromethyl)benzoic acid
CasNumber:
454-92-2
MolecularFormula:
C8H5F3O2
MolecularWeight:
190.1193
MdlNumber:
MFCD00002519
Smiles:
OC(=O)c1cccc(c1)C(F)(F)F
NscNumber:
43025
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(c1cccc(c1)C(F)(F)F)N
NscNumber: __
Complexity: 242
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(c1cccc(c1)C(F)(F)F)N
NscNumber:
__
Complexity:
242
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1cccc(c1)[N+](C)(C)C)(F)F.[OH-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1cccc(c1)[N+](C)(C)C)(F)F.[OH-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Sc1cccc(c1)C(F)(F)F
NscNumber: __
Complexity: 132
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Sc1cccc(c1)C(F)(F)F
NscNumber:
__
Complexity:
132
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5