AB49185
39226-97-6 | 2-Chloro-3-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49185
ChemicalName
2-Chloro-3-(trifluoromethyl)benzoic acid
CasNumber
39226-97-6
MolecularFormula
C8H4ClF3O2
MolecularWeight
224.5644
MdlNumber
MFCD00792415
Smiles
OC(=O)c1cccc(c1Cl)C(F)(F)F
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AB49185
ChemicalName: 2-Chloro-3-(trifluoromethyl)benzoic acid
CasNumber: 39226-97-6
MolecularFormula: C8H4ClF3O2
MolecularWeight: 224.5644
MdlNumber: MFCD00792415
Smiles: OC(=O)c1cccc(c1Cl)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB49185
ChemicalName:
2-Chloro-3-(trifluoromethyl)benzoic acid
CasNumber:
39226-97-6
MolecularFormula:
C8H4ClF3O2
MolecularWeight:
224.5644
MdlNumber:
MFCD00792415
Smiles:
OC(=O)c1cccc(c1Cl)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: AB49186
ChemicalName: Diethyl (phenylsulfonyl)methanephosphonate
CasNumber: 56069-39-7
MolecularFormula: C11H17O5PS
MolecularWeight: 292.2884
MdlNumber: MFCD03453041
Smiles: CCOP(=O)(CS(=O)(=O)c1ccccc1)OCC
Complexity: 371
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: 1.2
CatalogNumber:
AB49186
ChemicalName:
Diethyl (phenylsulfonyl)methanephosphonate
CasNumber:
56069-39-7
MolecularFormula:
C11H17O5PS
MolecularWeight:
292.2884
MdlNumber:
MFCD03453041
Smiles:
CCOP(=O)(CS(=O)(=O)c1ccccc1)OCC
Complexity:
371
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(cc(c1)Br)S(=O)(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(cc(c1)Br)S(=O)(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1c2ccccc2c(c2c1cccc2)c1cccc2c1cccc2
Complexity: 435
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1c2ccccc2c(c2c1cccc2)c1cccc2c1cccc2
Complexity:
435
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
8