AG10560
37526-67-3 | 2-(Trifluoromethylthio)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG10560
ChemicalName
2-(Trifluoromethylthio)benzoic acid
CasNumber
37526-67-3
MolecularFormula
C8H5F3O2S
MolecularWeight
222.1843
MdlNumber
MFCD00236336
Smiles
OC(=O)c1ccccc1SC(F)(F)F
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AG10560
ChemicalName: 2-(Trifluoromethylthio)benzoic acid
CasNumber: 37526-67-3
MolecularFormula: C8H5F3O2S
MolecularWeight: 222.1843
MdlNumber: MFCD00236336
Smiles: OC(=O)c1ccccc1SC(F)(F)F
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AG10560
ChemicalName:
2-(Trifluoromethylthio)benzoic acid
CasNumber:
37526-67-3
MolecularFormula:
C8H5F3O2S
MolecularWeight:
222.1843
MdlNumber:
MFCD00236336
Smiles:
OC(=O)c1ccccc1SC(F)(F)F
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: Nc1nc(Nc2ccc(cc2)[As]2SC(C(S2)C(=O)O)C(=O)O)nc(n1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Nc1nc(Nc2ccc(cc2)[As]2SC(C(S2)C(=O)O)C(=O)O)nc(n1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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__
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Smiles: Sc1nnc(o1)c1cnccn1
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Sc1nnc(o1)c1cnccn1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCC(C)C=CC(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(C)C=CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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