1H-Indazole, 1-benzoyl-6-nitro-
Basic information
- CAS
36174-00-2- Standard SMILES
O=C(c1ccccc1)n1ncc2ccc([N+](=O)[O-])cc21- InChIKey
GMXVEEOAASGIJA-UHFFFAOYSA-N- Molecular formula
- C14H9N3O3
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.06439116
Names & identifiers
- Preferred name
- 1H-Indazole, 1-benzoyl-6-nitro-
- IUPAC
- (6-nitroindazol-1-yl)-phenylmethanone
Names & synonyms
(6-Nitro-1H-indazol-1-yl)(phenyl)methanone36174-00-21-benzoyl-6-nitro-1H-indazole1H-Indazole, 1-benzoyl-6-nitro-DTXSID903992536-nitro(1H-indazolyl) phenyl ketoneAKOS024383451ST51032915
Database identifiers
- CAS
36174-00-2- PubChem CID
- 4095261
- DTXSID
DTXSID90399253
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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