AH12654
657-06-7 | 2-Chloro-5-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH12654
ChemicalName
2-Chloro-5-(trifluoromethyl)benzoic acid
CasNumber
657-06-7
MolecularFormula
C8H4ClF3O2
MolecularWeight
224.5644
MdlNumber
MFCD00061094
Smiles
OC(=O)c1cc(ccc1Cl)C(F)(F)F
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.7
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CatalogNumber: AH12654
ChemicalName: 2-Chloro-5-(trifluoromethyl)benzoic acid
CasNumber: 657-06-7
MolecularFormula: C8H4ClF3O2
MolecularWeight: 224.5644
MdlNumber: MFCD00061094
Smiles: OC(=O)c1cc(ccc1Cl)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AH12654
ChemicalName:
2-Chloro-5-(trifluoromethyl)benzoic acid
CasNumber:
657-06-7
MolecularFormula:
C8H4ClF3O2
MolecularWeight:
224.5644
MdlNumber:
MFCD00061094
Smiles:
OC(=O)c1cc(ccc1Cl)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.7
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Smiles: Oc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1ccc(cc1)O)N
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Smiles:
Oc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1ccc(cc1)O)N
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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