3-Methylindazole-1-carbonyl chloride
Basic information
- CAS
10023-83-3- Standard SMILES
Cc1nn(C(=O)Cl)c2ccccc12- InChIKey
XLCYHMZUJNTTSG-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.0246905
Names & identifiers
- Preferred name
- 3-Methylindazole-1-carbonyl chloride
- IUPAC
- 3-methylindazole-1-carbonyl chloride
Names & synonyms
3-methylindazole-1-carbonyl chloride3-methyl-1H-indazole-1-carbonyl chloride10023-83-31H-indazole-1-carbonyl chloride, 3-methyl-DTXSID00348813InChI=1/C9H7ClN2O/c1-6-7-4-2-3-5-8(7)12(11-6)9(10)13/h2-5H,1H
Database identifiers
- CAS
10023-83-3- PubChem CID
- 640872
- DTXSID
DTXSID00348813
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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