AF87947
313366-69-7 | 5-(4-Cyanophenyl)-2-methoxybenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF87947
ChemicalName
5-(4-Cyanophenyl)-2-methoxybenzonitrile
CasNumber
313366-69-7
MolecularFormula
C15H10N2O
MolecularWeight
234.2527
MdlNumber
MFCD00982585
Smiles
N#Cc1ccc(cc1)c1ccc(c(c1)C#N)OC
Complexity
366
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AF87947
ChemicalName: 5-(4-Cyanophenyl)-2-methoxybenzonitrile
CasNumber: 313366-69-7
MolecularFormula: C15H10N2O
MolecularWeight: 234.2527
MdlNumber: MFCD00982585
Smiles: N#Cc1ccc(cc1)c1ccc(c(c1)C#N)OC
Complexity: 366
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AF87947
ChemicalName:
5-(4-Cyanophenyl)-2-methoxybenzonitrile
CasNumber:
313366-69-7
MolecularFormula:
C15H10N2O
MolecularWeight:
234.2527
MdlNumber:
MFCD00982585
Smiles:
N#Cc1ccc(cc1)c1ccc(c(c1)C#N)OC
Complexity:
366
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3
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