1H-Imidazole, 5-methoxy-2-methyl-4-nitro-
Basic information
- CAS
35687-42-4- Standard SMILES
COc1nc(C)[nH]c1[N+](=O)[O-]- InChIKey
LDZPAZWQSILXKU-UHFFFAOYSA-N- Molecular formula
- C5H7N3O3
- Average molar mass
- 157.13 g/mol
- Monoisotopic mass
- 157.04874109
Names & identifiers
- Preferred name
- 1H-Imidazole, 5-methoxy-2-methyl-4-nitro-
- IUPAC
- 4-methoxy-2-methyl-5-nitro-1H-imidazole
Names & synonyms
1H-Imidazole, 5-methoxy-2-methyl-4-nitro-35687-42-45-Methoxy-2-methyl-4-nitro-1H-imidazole4-METHOXY-2-METHYL-5-NITRO-1H-IMIDAZOLEDTXSID30189190
Database identifiers
- CAS
35687-42-4- PubChem CID
- 37220
- DTXSID
DTXSID30189190- Nikkaji
- J1.618.348B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
LogP0.21
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Compound notes
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