AF56299
330-17-6 | 4-(Trifluoromethylthio)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF56299
ChemicalName
4-(Trifluoromethylthio)benzoic acid
CasNumber
330-17-6
MolecularFormula
C8H5F3O2S
MolecularWeight
222.1843
MdlNumber
MFCD00040906
Smiles
OC(=O)c1ccc(cc1)SC(F)(F)F
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.9
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CatalogNumber: AF56299
ChemicalName: 4-(Trifluoromethylthio)benzoic acid
CasNumber: 330-17-6
MolecularFormula: C8H5F3O2S
MolecularWeight: 222.1843
MdlNumber: MFCD00040906
Smiles: OC(=O)c1ccc(cc1)SC(F)(F)F
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AF56299
ChemicalName:
4-(Trifluoromethylthio)benzoic acid
CasNumber:
330-17-6
MolecularFormula:
C8H5F3O2S
MolecularWeight:
222.1843
MdlNumber:
MFCD00040906
Smiles:
OC(=O)c1ccc(cc1)SC(F)(F)F
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.9
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Smiles: CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)CO
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Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)CO
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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