Basic information
- CAS
923033-77-6- Standard SMILES
Cn1nnnc1Cc1ncc(Cl)cc1[N+](=O)[O-]- InChIKey
PJTAKAXKQXYTOW-UHFFFAOYSA-N- Molecular formula
- C8H7ClN6O2
- Average molar mass
- 254.63 g/mol
- Monoisotopic mass
- 254.0319012
Names & identifiers
- Preferred name
- 5-Chloro-2-[(1-methyl-1h-tetrazol-5-yl)methyl]-3-nitropyridine
- IUPAC
- 5-chloro-2-[(1-methyltetrazol-5-yl)methyl]-3-nitropyridine
Names & synonyms
923033-77-6SCHEMBL5306578DTXSID807404375-chloro-2-[(1-methyl-1h-tetrazol-5-yl)methyl]-3-nitropyridine
Database identifiers
- CAS
923033-77-6- PubChem CID
- 69397247
- DTXSID
DTXSID80740437
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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