4-Iodo-1-methyl-5-nitro-1H-imidazole
Basic information
- CAS
76529-47-0- Standard SMILES
Cn1cnc(I)c1[N+](=O)[O-]- InChIKey
HYIXYWKRGGDKJR-UHFFFAOYSA-N- Molecular formula
- C4H4IN3O2
- Average molar mass
- 253 g/mol
- Monoisotopic mass
- 252.93482
Names & identifiers
- Preferred name
- 4-Iodo-1-methyl-5-nitro-1H-imidazole
- IUPAC
- 4-iodo-1-methyl-5-nitroimidazole
- English name
- 4-Iodo-1-methyl-5-nitro-1H-imidazole
- Molecular weight
- 0
Names & synonyms
4-Iodo-1-methyl-5-nitro-1H-imidazole76529-47-0DTXSID90317250RefChem:293492DTXCID30268373NSC313407CHEMBL174328NSC-3134071-Methyl-4-iodo-5-nitro-1H-imidazole
Database identifiers
- CAS
76529-47-0- PubChem CID
- 329619
- DTXSID
DTXSID90317250- ChEMBL
CHEMBL174328- Nikkaji
- J449.901H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
LogP1.29
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Related reactions
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Compound notes
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