AD20059
2376-00-3 | 2-Chloro-6-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD20059
ChemicalName
2-Chloro-6-(trifluoromethyl)benzoic acid
CasNumber
2376-00-3
MolecularFormula
C8H4ClF3O2
MolecularWeight
224.5644
MdlNumber
MFCD06208254
Smiles
OC(=O)c1c(Cl)cccc1C(F)(F)F
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AD20059
ChemicalName: 2-Chloro-6-(trifluoromethyl)benzoic acid
CasNumber: 2376-00-3
MolecularFormula: C8H4ClF3O2
MolecularWeight: 224.5644
MdlNumber: MFCD06208254
Smiles: OC(=O)c1c(Cl)cccc1C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AD20059
ChemicalName:
2-Chloro-6-(trifluoromethyl)benzoic acid
CasNumber:
2376-00-3
MolecularFormula:
C8H4ClF3O2
MolecularWeight:
224.5644
MdlNumber:
MFCD06208254
Smiles:
OC(=O)c1c(Cl)cccc1C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.8
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MolecularFormula: __
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Smiles: [O-][N+](=O)c1cc(c(c(c1)C(F)(F)F)Cl)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
[O-][N+](=O)c1cc(c(c(c1)C(F)(F)F)Cl)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
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Smiles: CNC(=O)c1cccc(c1)C(=O)O
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Smiles:
CNC(=O)c1cccc(c1)C(=O)O
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RotatableBondCount:
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Smiles: S=C(NCc1ccc(c(c1)Cl)Cl)NCc1ccc(c(c1)Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
S=C(NCc1ccc(c(c1)Cl)Cl)NCc1ccc(c(c1)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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