Basic information
- CAS
581812-75-1- Standard SMILES
COC(=O)n1ncc2c([N+](=O)[O-])cccc21- InChIKey
CKTCGUBUWFAJBZ-UHFFFAOYSA-N- Molecular formula
- C9H7N3O4
- Average molar mass
- 221.17 g/mol
- Monoisotopic mass
- 221.0436557
Names & identifiers
- Preferred name
- methyl 4-nitro-1H-indazole-1-carboxylate
- IUPAC
- methyl 4-nitroindazole-1-carboxylate
Names & synonyms
methyl 4-nitro-1H-indazole-1-carboxylate581812-75-1METHYL 4-NITROINDAZOLE-1-CARBOXYLATESCHEMBL1856772DTXSID90621829CKTCGUBUWFAJBZ-UHFFFAOYSA-NDA-42031methyl 4-nitro-1 H-indazole-1-carboxylate
Database identifiers
- CAS
581812-75-1- PubChem CID
- 22032604
- DTXSID
DTXSID90621829
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Related reactions
30 records
Compound notes
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