AB10455
201404-26-4 | Diethyl 2-(4-cyanophenyl)malonate
Manufacturer: A2B Chem
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CatalogNumber
AB10455
ChemicalName
Diethyl 2-(4-cyanophenyl)malonate
CasNumber
201404-26-4
MolecularFormula
C14H15NO4
MolecularWeight
261.2732
MdlNumber
MFCD08703137
Smiles
CCOC(=O)C(c1ccc(cc1)C#N)C(=O)OCC
Complexity
345
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
RotatableBondCount
7
Xlogp3
2.3
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CatalogNumber: AB10455
ChemicalName: Diethyl 2-(4-cyanophenyl)malonate
CasNumber: 201404-26-4
MolecularFormula: C14H15NO4
MolecularWeight: 261.2732
MdlNumber: MFCD08703137
Smiles: CCOC(=O)C(c1ccc(cc1)C#N)C(=O)OCC
Complexity: 345
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 7
Xlogp3: 2.3
CatalogNumber:
AB10455
ChemicalName:
Diethyl 2-(4-cyanophenyl)malonate
CasNumber:
201404-26-4
MolecularFormula:
C14H15NO4
MolecularWeight:
261.2732
MdlNumber:
MFCD08703137
Smiles:
CCOC(=O)C(c1ccc(cc1)C#N)C(=O)OCC
Complexity:
345
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
7
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C([2H])([2H])[2H])N[C@H](C(=O)O)CSCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C([2H])([2H])[2H])N[C@H](C(=O)O)CSCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(c1ccc(cc1)Br)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(c1ccc(cc1)Br)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB10461
ChemicalName: 7-Nitroisoquinolin-1(2h)-one
CasNumber: 20141-83-7
MolecularFormula: C9H6N2O3
MolecularWeight: 190.15554
MdlNumber: MFCD15526743
Smiles: O=N(=O)c1ccc2c(c1)c(=O)[nH]cc2
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
AB10461
ChemicalName:
7-Nitroisoquinolin-1(2h)-one
CasNumber:
20141-83-7
MolecularFormula:
C9H6N2O3
MolecularWeight:
190.15554
MdlNumber:
MFCD15526743
Smiles:
O=N(=O)c1ccc2c(c1)c(=O)[nH]cc2
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
1.2