AB47784
142994-06-7 | 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB47784
ChemicalName
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
CasNumber
142994-06-7
MolecularFormula
C9H7F3O4S
MolecularWeight
268.2097
MdlNumber
MFCD09037774
Smiles
OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F
Complexity
395
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AB47784
ChemicalName: 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
CasNumber: 142994-06-7
MolecularFormula: C9H7F3O4S
MolecularWeight: 268.2097
MdlNumber: MFCD09037774
Smiles: OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F
Complexity: 395
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB47784
ChemicalName:
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
CasNumber:
142994-06-7
MolecularFormula:
C9H7F3O4S
MolecularWeight:
268.2097
MdlNumber:
MFCD09037774
Smiles:
OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F
Complexity:
395
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(CN(C(=O)OC(C)(C)C)C)OCc1cccnc1NCC(=O)OC(Cl)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(CN(C(=O)OC(C)(C)C)C)OCc1cccnc1NCC(=O)OC(Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc2c(c1)[C@H](O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C
Complexity: 674
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc2c(c1)[C@H](O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C
Complexity:
674
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O
Complexity: 488
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O
Complexity:
488
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5