Basic information
- Standard SMILES
Oc1ccc2c(Cl)[nH]nc2c1- InChIKey
JXVOJLPFEDCFKV-UHFFFAOYSA-N- Molecular formula
- C7H5ClN2O
- Average molar mass
- 168.58 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-1H-indazol-6-OL
- IUPAC
- 3-chloro-2H-indazol-6-ol
- English name
- 3-Chloro-6-hydroxy (1H)indazole
- Molecular formula
- C7H5ClN2O
- Molecular weight
- 168.58
Names & synonyms
3-CHLORO-1H-INDAZOL-6-OL116570-49-13-chloro-2H-indazol-6-ol3-chloro-1,2-dihydroindazol-6-oneDTXSID20646681AKOS006290299MB067383-Chloro-1,2-dihydro-6H-indazol-6-oneDB-060894CS-01397061H-Indazol-6-ol, 3-chloro-3-Chloro-6-hydroxy (1H)indazole
Database identifiers
- CAS
116570-49-1- PubChem CID
- 135742445
- DTXSID
DTXSID20646681
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 210 °C · 210 °C
- Boiling point
- 399.1 · 399.1±22.0 °C(Predicted)
- Density
- 1.598 · 1.598±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.73 · 8.73±0.40(Predicted)
Chemistry & industry
Suppliers5 total
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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