Basic information
- CAS
18378-12-6- Standard SMILES
Cc1ccc2c(no[n+]2[O-])c1[N+](=O)[O-]- InChIKey
MLRLTZCELJILGQ-UHFFFAOYSA-N- Molecular formula
- C7H5N3O4
- Average molar mass
- 195.13 g/mol
- Monoisotopic mass
- 195.02800565
Names & identifiers
- Preferred name
- Benzofurazan, 5-methyl-4-nitro-, 1-oxide
- IUPAC
- 5-methyl-4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium
- English name
- 4-Nitro-5-methylbenzofurazane 1-oxide
- Molecular weight
- 0
Names & synonyms
BENZOFURAZAN, 5-METHYL-4-NITRO-, 1-OXIDE5-Methyl-4-nitrobenzofurazan oxide18378-12-6BRN 02193514-Nitro-5-methylbenzfurazan oxideDTXSID701714734-27-00-07125 (Beilstein Handbook Reference)RefChem:326483DTXCID60939645-methyl-4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium5-Methyl-4-nitrobenzofuroxan5-Methyl-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
Show more names
5-Methyl-4-nitrobenzofurazane 1-oxide4-Nitro-5-methylbenzofurazane 1-oxide
Database identifiers
- CAS
18378-12-6- PubChem CID
- 29049
- DTXSID
DTXSID70171473- Nikkaji
- J41.237F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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