AB69074
654-98-8 | 5-Chloro-2-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB69074
ChemicalName
5-Chloro-2-(trifluoromethyl)benzoic acid
CasNumber
654-98-8
MolecularFormula
C8H4ClF3O2
MolecularWeight
224.5644
MdlNumber
MFCD01631353
Smiles
Clc1ccc(c(c1)C(=O)O)C(F)(F)F
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AB69074
ChemicalName: 5-Chloro-2-(trifluoromethyl)benzoic acid
CasNumber: 654-98-8
MolecularFormula: C8H4ClF3O2
MolecularWeight: 224.5644
MdlNumber: MFCD01631353
Smiles: Clc1ccc(c(c1)C(=O)O)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB69074
ChemicalName:
5-Chloro-2-(trifluoromethyl)benzoic acid
CasNumber:
654-98-8
MolecularFormula:
C8H4ClF3O2
MolecularWeight:
224.5644
MdlNumber:
MFCD01631353
Smiles:
Clc1ccc(c(c1)C(=O)O)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cc(Cl)ccc1C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cc(Cl)ccc1C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB69076
ChemicalName: 5-Chloro-2-(trifluoromethyl)pyridine
CasNumber: 349-94-0
MolecularFormula: C6H3ClF3N
MolecularWeight: 181.5429
MdlNumber: MFCD06657685
Smiles: Clc1ccc(nc1)C(F)(F)F
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
AB69076
ChemicalName:
5-Chloro-2-(trifluoromethyl)pyridine
CasNumber:
349-94-0
MolecularFormula:
C6H3ClF3N
MolecularWeight:
181.5429
MdlNumber:
MFCD06657685
Smiles:
Clc1ccc(nc1)C(F)(F)F
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cnc(c(c1I)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cnc(c(c1I)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__