Basic information
- CAS
885522-33-8- Standard SMILES
COC(=O)c1cc(Cl)cc2[nH][nH]c(=O)c12- InChIKey
LSDJGLQZKXNUCO-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O3
- Average molar mass
- 226.61 g/mol
- Monoisotopic mass
- 226.0145198
Names & identifiers
- Preferred name
- Methyl 6-chloro-3-oxo-1,2-dihydroindazole-4-carboxylate
- IUPAC
- methyl 6-chloro-3-oxo-1,2-dihydroindazole-4-carboxylate
- English name
- 6-Chloro-3-hydroxy-4-indazolecarboxylic acid methyl ester
- Molecular formula
- C9H7ClN2O3
- Molecular weight
- 226.62
Names & synonyms
885522-33-8methyl 6-chloro-3-oxo-1,2-dihydroindazole-4-carboxylateMethyl 6-chloro-3-hydroxy-1H-indazole-4-carboxylateDTXSID101188975Methyl 6-chloro-2,3-dihydro-3-oxo-1H-indazole-4-carboxylateMethyl 6-chloro-3-oxo-2,3-dihydro-1H-indazole-4-carboxylate6-Chloro-3-hydroxy-4-indazolecarboxylic acid methyl ester1H-Indazole-4-carboxylic acid, 6-chloro-2,3-dihydro-3-oxo-, methyl ester
Database identifiers
- CAS
885522-33-8- PubChem CID
- 24728366
- DTXSID
DTXSID101188975
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 338.2 · 338.2±35.0 °C(Predicted)
- Density
- 1.444 · 1.444±0.06 g/cm3(Predicted)
- pka
- 10.38 · 10.38±0.20(Predicted)
Chemistry & industry
Suppliers2 total
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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