AA38404
129931-45-9 | 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA38404
ChemicalName
3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid
CasNumber
129931-45-9
MolecularFormula
C8H3ClF4O2
MolecularWeight
242.5548
MdlNumber
MFCD01631509
Smiles
OC(=O)c1cc(cc(c1F)Cl)C(F)(F)F
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AA38404
ChemicalName: 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid
CasNumber: 129931-45-9
MolecularFormula: C8H3ClF4O2
MolecularWeight: 242.5548
MdlNumber: MFCD01631509
Smiles: OC(=O)c1cc(cc(c1F)Cl)C(F)(F)F
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AA38404
ChemicalName:
3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid
CasNumber:
129931-45-9
MolecularFormula:
C8H3ClF4O2
MolecularWeight:
242.5548
MdlNumber:
MFCD01631509
Smiles:
OC(=O)c1cc(cc(c1F)Cl)C(F)(F)F
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1cc(n(n1)C)O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1cc(n(n1)C)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C#CC(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C#CC(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(Sc1ccccc1c1ccccc1)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(Sc1ccccc1c1ccccc1)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__