AI40528
1820651-14-6 | Dimethyl 2-(3-methyl-5-nitropyridin-2-yl)malonate
Manufacturer: A2B Chem
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CatalogNumber
AI40528
ChemicalName
Dimethyl 2-(3-methyl-5-nitropyridin-2-yl)malonate
CasNumber
1820651-14-6
MolecularFormula
C11H12N2O6
MolecularWeight
268.2228
MdlNumber
MFCD26131170
Smiles
COC(=O)C(c1ncc(cc1C)[N+](=O)[O-])C(=O)OC
Complexity
351
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
RotatableBondCount
5
Xlogp3
1
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CatalogNumber: AI40528
ChemicalName: Dimethyl 2-(3-methyl-5-nitropyridin-2-yl)malonate
CasNumber: 1820651-14-6
MolecularFormula: C11H12N2O6
MolecularWeight: 268.2228
MdlNumber: MFCD26131170
Smiles: COC(=O)C(c1ncc(cc1C)[N+](=O)[O-])C(=O)OC
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
RotatableBondCount: 5
Xlogp3: 1
CatalogNumber:
AI40528
ChemicalName:
Dimethyl 2-(3-methyl-5-nitropyridin-2-yl)malonate
CasNumber:
1820651-14-6
MolecularFormula:
C11H12N2O6
MolecularWeight:
268.2228
MdlNumber:
MFCD26131170
Smiles:
COC(=O)C(c1ncc(cc1C)[N+](=O)[O-])C(=O)OC
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
RotatableBondCount:
5
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Sc1nc2c(s1)c(Cl)ncn2
Complexity: 189
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Sc1nc2c(s1)c(Cl)ncn2
Complexity:
189
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1=CC(=CC=C1)OCC2CCCO2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1=CC(=CC=C1)OCC2CCCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1cc(Br)c(cc1NC(=O)OC(C)(C)C)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1cc(Br)c(cc1NC(=O)OC(C)(C)C)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__