1-(6-Nitroindazol-2-yl)propan-1-one
Basic information
- CAS
55076-16-9- Standard SMILES
CCC(=O)n1cc2ccc([N+](=O)[O-])cc2n1- InChIKey
IOQDOCBNMCJDKE-UHFFFAOYSA-N- Molecular formula
- C10H9N3O3
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.06439116
Names & identifiers
- Preferred name
- 1-(6-Nitroindazol-2-yl)propan-1-one
- IUPAC
- 1-(6-nitroindazol-2-yl)propan-1-one
Names & synonyms
55076-16-91-(6-nitroindazol-2-yl)propan-1-oneNSC174786DTXSID80306259NSC-1747861-(6-Nitro-2H-indazol-2-yl)propan-1-one
Database identifiers
- CAS
55076-16-9- PubChem CID
- 300412
- DTXSID
DTXSID80306259
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
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Compound notes
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