AB73445
106263-53-0 | 3-Oxo-3-(4-trifluoromethylphenyl)propionic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB73445
ChemicalName
3-Oxo-3-(4-trifluoromethylphenyl)propionic acid ethyl ester
CasNumber
106263-53-0
MolecularFormula
C12H11F3O3
MolecularWeight
260.20914959999993
MdlNumber
MFCD03424818
Smiles
CCOC(=O)CC(=O)c1ccc(cc1)C(F)(F)F
Complexity
304
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
RotatableBondCount
5
Xlogp3
2.8
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CatalogNumber: AB73445
ChemicalName: 3-Oxo-3-(4-trifluoromethylphenyl)propionic acid ethyl ester
CasNumber: 106263-53-0
MolecularFormula: C12H11F3O3
MolecularWeight: 260.20914959999993
MdlNumber: MFCD03424818
Smiles: CCOC(=O)CC(=O)c1ccc(cc1)C(F)(F)F
Complexity: 304
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
Xlogp3: 2.8
CatalogNumber:
AB73445
ChemicalName:
3-Oxo-3-(4-trifluoromethylphenyl)propionic acid ethyl ester
CasNumber:
106263-53-0
MolecularFormula:
C12H11F3O3
MolecularWeight:
260.20914959999993
MdlNumber:
MFCD03424818
Smiles:
CCOC(=O)CC(=O)c1ccc(cc1)C(F)(F)F
Complexity:
304
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCO/C(=C(/C(=O)OCC)C#N)/C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCO/C(=C(/C(=O)OCC)C#N)/C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB73447
ChemicalName: Ethyl (phenylthio)acetate
CasNumber: 7605-25-6
MolecularFormula: C10H12O2S
MolecularWeight: 196.2661
MdlNumber: MFCD00145107
Smiles: CCOC(=O)CSc1ccccc1
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 2.6
CatalogNumber:
AB73447
ChemicalName:
Ethyl (phenylthio)acetate
CasNumber:
7605-25-6
MolecularFormula:
C10H12O2S
MolecularWeight:
196.2661
MdlNumber:
MFCD00145107
Smiles:
CCOC(=O)CSc1ccccc1
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)COS(=O)(=O)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)COS(=O)(=O)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__