AB44520
53985-49-2 | 3-Chloro-5-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44520
ChemicalName
3-Chloro-5-(trifluoromethyl)benzoic acid
CasNumber
53985-49-2
MolecularFormula
C8H4ClF3O2
MolecularWeight
224.5644
MdlNumber
MFCD04115846
Smiles
Clc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AB44520
ChemicalName: 3-Chloro-5-(trifluoromethyl)benzoic acid
CasNumber: 53985-49-2
MolecularFormula: C8H4ClF3O2
MolecularWeight: 224.5644
MdlNumber: MFCD04115846
Smiles: Clc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB44520
ChemicalName:
3-Chloro-5-(trifluoromethyl)benzoic acid
CasNumber:
53985-49-2
MolecularFormula:
C8H4ClF3O2
MolecularWeight:
224.5644
MdlNumber:
MFCD04115846
Smiles:
Clc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: AB44521
ChemicalName: 2-Amino-3-chloro-5-(trifluoromethyl)pyridine
CasNumber: 79456-26-1
MolecularFormula: C6H4ClF3N2
MolecularWeight: 196.5576
MdlNumber: MFCD00042154
Smiles: Nc1ncc(cc1Cl)C(F)(F)F
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
AB44521
ChemicalName:
2-Amino-3-chloro-5-(trifluoromethyl)pyridine
CasNumber:
79456-26-1
MolecularFormula:
C6H4ClF3N2
MolecularWeight:
196.5576
MdlNumber:
MFCD00042154
Smiles:
Nc1ncc(cc1Cl)C(F)(F)F
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1cncc(c1)Cl)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1cncc(c1)Cl)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB44523
ChemicalName: 3-Chloro-5-(trifluoromethyl)-2-pyridinecarbonitrile
CasNumber: 80194-70-3
MolecularFormula: C7H2ClF3N2
MolecularWeight: 206.5524
MdlNumber: MFCD00664066
Smiles: N#Cc1ncc(cc1Cl)C(F)(F)F
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
AB44523
ChemicalName:
3-Chloro-5-(trifluoromethyl)-2-pyridinecarbonitrile
CasNumber:
80194-70-3
MolecularFormula:
C7H2ClF3N2
MolecularWeight:
206.5524
MdlNumber:
MFCD00664066
Smiles:
N#Cc1ncc(cc1Cl)C(F)(F)F
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4