AF87948
318471-58-8 | Diethyl 2-(2-fluoro-4-nitrophenyl)malonate
Manufacturer: A2B Chem
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CatalogNumber
AF87948
ChemicalName
Diethyl 2-(2-fluoro-4-nitrophenyl)malonate
CasNumber
318471-58-8
MolecularFormula
C13H14FNO6
MolecularWeight
299.2518
MdlNumber
MFCD26940384
Smiles
CCOC(=O)C(c1ccc(cc1F)[N+](=O)[O-])C(=O)OCC
Complexity
379
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
7
RotatableBondCount
7
Xlogp3
2.5
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CatalogNumber: AF87948
ChemicalName: Diethyl 2-(2-fluoro-4-nitrophenyl)malonate
CasNumber: 318471-58-8
MolecularFormula: C13H14FNO6
MolecularWeight: 299.2518
MdlNumber: MFCD26940384
Smiles: CCOC(=O)C(c1ccc(cc1F)[N+](=O)[O-])C(=O)OCC
Complexity: 379
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 7
RotatableBondCount: 7
Xlogp3: 2.5
CatalogNumber:
AF87948
ChemicalName:
Diethyl 2-(2-fluoro-4-nitrophenyl)malonate
CasNumber:
318471-58-8
MolecularFormula:
C13H14FNO6
MolecularWeight:
299.2518
MdlNumber:
MFCD26940384
Smiles:
CCOC(=O)C(c1ccc(cc1F)[N+](=O)[O-])C(=O)OCC
Complexity:
379
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
7
RotatableBondCount:
7
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cccc(c1)S(=O)(=O)NC1=NCCC1
Complexity: 372
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cccc(c1)S(=O)(=O)NC1=NCCC1
Complexity:
372
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(c(c1)S(=O)(=O)C)N
Complexity: 319
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(c(c1)S(=O)(=O)C)N
Complexity:
319
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: AF87951
ChemicalName: 3-Amino-N-(4-methylphenyl)benzenesulfonamide
CasNumber: 372096-56-5
MolecularFormula: C13H14N2O2S
MolecularWeight: 262.32746
MdlNumber: MFCD09736859
Smiles: Cc1ccc(cc1)NS(=O)(=O)c1cccc(c1)N
Complexity: 356
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AF87951
ChemicalName:
3-Amino-N-(4-methylphenyl)benzenesulfonamide
CasNumber:
372096-56-5
MolecularFormula:
C13H14N2O2S
MolecularWeight:
262.32746
MdlNumber:
MFCD09736859
Smiles:
Cc1ccc(cc1)NS(=O)(=O)c1cccc(c1)N
Complexity:
356
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.1