AA96758
1813-93-0 | Ethyl 2-(2-fluorophenyl)-2-oxoacetate
Manufacturer: A2B Chem
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CatalogNumber
AA96758
ChemicalName
Ethyl 2-(2-fluorophenyl)-2-oxoacetate
CasNumber
1813-93-0
MolecularFormula
C10H9FO3
MolecularWeight
196.1751
MdlNumber
MFCD09801420
Smiles
CCOC(=O)C(=O)c1ccccc1F
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AA96758
ChemicalName: Ethyl 2-(2-fluorophenyl)-2-oxoacetate
CasNumber: 1813-93-0
MolecularFormula: C10H9FO3
MolecularWeight: 196.1751
MdlNumber: MFCD09801420
Smiles: CCOC(=O)C(=O)c1ccccc1F
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AA96758
ChemicalName:
Ethyl 2-(2-fluorophenyl)-2-oxoacetate
CasNumber:
1813-93-0
MolecularFormula:
C10H9FO3
MolecularWeight:
196.1751
MdlNumber:
MFCD09801420
Smiles:
CCOC(=O)C(=O)c1ccccc1F
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc(c1)C(=O)c1ccc2c(c1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc(c1)C(=O)c1ccc2c(c1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: F[B-](F)(F)F.CCCC[P+](CCCC)(CCCC)CCCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
F[B-](F)(F)F.CCCC[P+](CCCC)(CCCC)CCCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA96763
ChemicalName: 2-Chloro-4-(trifluoromethyl)benzonitrile
CasNumber: 1813-33-8
MolecularFormula: C8H3ClF3N
MolecularWeight: 205.5643
MdlNumber: MFCD00084939
Smiles: N#Cc1ccc(cc1Cl)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
AA96763
ChemicalName:
2-Chloro-4-(trifluoromethyl)benzonitrile
CasNumber:
1813-33-8
MolecularFormula:
C8H3ClF3N
MolecularWeight:
205.5643
MdlNumber:
MFCD00084939
Smiles:
N#Cc1ccc(cc1Cl)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
3.2