Basic information
- Standard SMILES
Oc1cc(Cl)c2c(I)n[nH]c2c1- InChIKey
CXCPPMJDTPZXSU-UHFFFAOYSA-N- Molecular formula
- C7H4ClIN2O
- Average molar mass
- 294.48 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-6-hydroxy-3-iodo-1H-indazole
- IUPAC
- 4-chloro-3-iodo-2H-indazol-6-ol
- English name
- 4-Chloro-6-hydroxy-3-iodo (1H)indazole
- Molecular formula
- C7H4ClIN2O
- Molecular weight
- 294.48
Names & synonyms
4-Chloro-3-iodo-1H-indazol-6-ol4-Chloro-6-hydroxy-3-iodo-1H-indazole887569-84-84-chloro-3-iodo-2H-indazol-6-ol1H-Indazol-6-ol, 4-chloro-3-iodo-4-Chloro-6-hydroxy-3-iodo (1H)indazole
Database identifiers
- CAS
887569-84-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 466.5 · 466.5±40.0 °C(Predicted)
- Density
- 2.308 · 2.308±0.06 g/cm3(Predicted)
- pka
- 7.99 · 7.99±0.40(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.
Linked notes
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