Indazole, 1-acetyl-3-chloro-6-nitro-
Basic information
- CAS
68159-09-1- Standard SMILES
CC(=O)n1nc(Cl)c2ccc([N+](=O)[O-])cc21- InChIKey
QDKOMMLWBMJNAX-UHFFFAOYSA-N- Molecular formula
- C9H6ClN3O3
- Average molar mass
- 239.61 g/mol
- Monoisotopic mass
- 239.0097688
Names & identifiers
- Preferred name
- Indazole, 1-acetyl-3-chloro-6-nitro-
- IUPAC
- 1-(3-chloro-6-nitroindazol-1-yl)ethanone
Names & synonyms
Indazole, 1-acetyl-3-chloro-6-nitro-1-Acetyl-3-chloro-6-nitroindazoleBRN 091877668159-09-1Chloro-3 nitro-6 acetyle-1 indazole [French]Chloro-3 nitro-6 acetyle-1 indazoleDTXSID502183355-23-06-00192 (Beilstein Handbook Reference)NSC 320032RefChem:349037DTXCID70140826NSC320032
Show more names
NSC-3200321-(3-Chloro-6-nitro-1H-indazol-1-yl)ethan-1-one
Database identifiers
- CAS
68159-09-1- PubChem CID
- 100561
- DTXSID
DTXSID50218335
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 320
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Compound notes
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