AI40426
1820641-61-9 | 1,3-Dimethyl 2-(5-methyl-3-nitropyridin-2-yl)propanedioate
Manufacturer: A2B Chem
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CatalogNumber
AI40426
ChemicalName
1,3-Dimethyl 2-(5-methyl-3-nitropyridin-2-yl)propanedioate
CasNumber
1820641-61-9
MolecularFormula
C11H12N2O6
MolecularWeight
268.2228
MdlNumber
MFCD28096661
Smiles
COC(=O)C(c1ncc(cc1[N+](=O)[O-])C)C(=O)OC
Complexity
351
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
RotatableBondCount
5
Xlogp3
1
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CatalogNumber: AI40426
ChemicalName: 1,3-Dimethyl 2-(5-methyl-3-nitropyridin-2-yl)propanedioate
CasNumber: 1820641-61-9
MolecularFormula: C11H12N2O6
MolecularWeight: 268.2228
MdlNumber: MFCD28096661
Smiles: COC(=O)C(c1ncc(cc1[N+](=O)[O-])C)C(=O)OC
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
RotatableBondCount: 5
Xlogp3: 1
CatalogNumber:
AI40426
ChemicalName:
1,3-Dimethyl 2-(5-methyl-3-nitropyridin-2-yl)propanedioate
CasNumber:
1820641-61-9
MolecularFormula:
C11H12N2O6
MolecularWeight:
268.2228
MdlNumber:
MFCD28096661
Smiles:
COC(=O)C(c1ncc(cc1[N+](=O)[O-])C)C(=O)OC
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
RotatableBondCount:
5
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cnc(c(c1)Br)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Fc1cnc(c(c1)Br)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI40431
ChemicalName: N-Isopropyl-N-(3-nitrophenyl)methanesulfonamide
CasNumber: 1820641-75-5
MolecularFormula: C10H14N2O4S
MolecularWeight: 258.2942
MdlNumber: MFCD28122686
Smiles: CC(N(S(=O)(=O)C)c1cccc(c1)[N+](=O)[O-])C
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AI40431
ChemicalName:
N-Isopropyl-N-(3-nitrophenyl)methanesulfonamide
CasNumber:
1820641-75-5
MolecularFormula:
C10H14N2O4S
MolecularWeight:
258.2942
MdlNumber:
MFCD28122686
Smiles:
CC(N(S(=O)(=O)C)c1cccc(c1)[N+](=O)[O-])C
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(c1)c1cc(F)ccc1F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc(c1)c1cc(F)ccc1F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__