AC76048
7116-38-3 | Ethyl 3-(4-fluorophenyl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AC76048
ChemicalName
Ethyl 3-(4-fluorophenyl)propanoate
CasNumber
7116-38-3
MolecularFormula
C11H13FO2
MolecularWeight
196.2181
MdlNumber
MFCD07772966
Smiles
CCOC(=O)CCc1ccc(cc1)F
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
2.8
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CatalogNumber: AC76048
ChemicalName: Ethyl 3-(4-fluorophenyl)propanoate
CasNumber: 7116-38-3
MolecularFormula: C11H13FO2
MolecularWeight: 196.2181
MdlNumber: MFCD07772966
Smiles: CCOC(=O)CCc1ccc(cc1)F
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 2.8
CatalogNumber:
AC76048
ChemicalName:
Ethyl 3-(4-fluorophenyl)propanoate
CasNumber:
7116-38-3
MolecularFormula:
C11H13FO2
MolecularWeight:
196.2181
MdlNumber:
MFCD07772966
Smiles:
CCOC(=O)CCc1ccc(cc1)F
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
2.8
CatalogNumber: AC76049
ChemicalName: Ethyl 3-(3-chlorophenyl)propanoate
CasNumber: 7116-35-0
MolecularFormula: C11H13ClO2
MolecularWeight: 212.6727
MdlNumber: MFCD07772955
Smiles: CCOC(=O)CCc1cccc(c1)Cl
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 5
Xlogp3: 3.4
CatalogNumber:
AC76049
ChemicalName:
Ethyl 3-(3-chlorophenyl)propanoate
CasNumber:
7116-35-0
MolecularFormula:
C11H13ClO2
MolecularWeight:
212.6727
MdlNumber:
MFCD07772955
Smiles:
CCOC(=O)CCc1cccc(c1)Cl
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
5
Xlogp3:
3.4
CatalogNumber: AC76050
ChemicalName: 3-(4-Nitro-phenyl)-propionic acid ethyl ester
CasNumber: 7116-34-9
MolecularFormula: C11H13NO4
MolecularWeight: 223.2252
MdlNumber: MFCD00126838
Smiles: CCOC(=O)CCc1ccc(cc1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AC76050
ChemicalName:
3-(4-Nitro-phenyl)-propionic acid ethyl ester
CasNumber:
7116-34-9
MolecularFormula:
C11H13NO4
MolecularWeight:
223.2252
MdlNumber:
MFCD00126838
Smiles:
CCOC(=O)CCc1ccc(cc1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]S(=O)(=O)c1cccc2c1cccc2S(=O)(=O)[O-].CCN(c1ccc(cc1)C1=[N+](CC)c2c3c1cccc3c(cc2)Br)CC.CCN(c1ccc(cc1)C1=[N+](CC)c2c3c1cccc3c(cc2)Br)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]S(=O)(=O)c1cccc2c1cccc2S(=O)(=O)[O-].CCN(c1ccc(cc1)C1=[N+](CC)c2c3c1cccc3c(cc2)Br)CC.CCN(c1ccc(cc1)C1=[N+](CC)c2c3c1cccc3c(cc2)Br)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__