AB62833
527-73-1 | 2-Nitroimidazole
Manufacturer: A2B Chem
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CatalogNumber
AB62833
ChemicalName
2-Nitroimidazole
CasNumber
527-73-1
MolecularFormula
C3H3N3O2
MolecularWeight
113.0748
MdlNumber
MFCD00005185
Smiles
[O-][N+](=O)c1ncc[nH]1
NscNumber
105831
Complexity
99.2
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
Xlogp3
0.1
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CatalogNumber: AB62833
ChemicalName: 2-Nitroimidazole
CasNumber: 527-73-1
MolecularFormula: C3H3N3O2
MolecularWeight: 113.0748
MdlNumber: MFCD00005185
Smiles: [O-][N+](=O)c1ncc[nH]1
NscNumber: 105831
Complexity: 99.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
Xlogp3: 0.1
CatalogNumber:
AB62833
ChemicalName:
2-Nitroimidazole
CasNumber:
527-73-1
MolecularFormula:
C3H3N3O2
MolecularWeight:
113.0748
MdlNumber:
MFCD00005185
Smiles:
[O-][N+](=O)c1ncc[nH]1
NscNumber:
105831
Complexity:
99.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
Xlogp3:
0.1
CatalogNumber: AB62834
ChemicalName: 2-Nitro-isophthalic acid monomethyl ester
CasNumber: 861593-27-3
MolecularFormula: C9H7NO6
MolecularWeight: 225.155
MdlNumber: MFCD08690069
Smiles: COC(=O)c1cccc(c1[N+](=O)[O-])C(=O)O
NscNumber: __
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
Xlogp3: 1
CatalogNumber:
AB62834
ChemicalName:
2-Nitro-isophthalic acid monomethyl ester
CasNumber:
861593-27-3
MolecularFormula:
C9H7NO6
MolecularWeight:
225.155
MdlNumber:
MFCD08690069
Smiles:
COC(=O)c1cccc(c1[N+](=O)[O-])C(=O)O
NscNumber:
__
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc2c(c1)cccc2
NscNumber: __
Complexity: 200
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc2c(c1)cccc2
NscNumber:
__
Complexity:
200
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1ccccc1[N+](=O)[O-]
NscNumber: __
Complexity: 155
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1ccccc1[N+](=O)[O-]
NscNumber:
__
Complexity:
155
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
2.1