Basic information
- Standard SMILES
O=C(O)c1n[nH]c2cc(I)cc(Cl)c12- InChIKey
FVAJCZVNUBGACB-UHFFFAOYSA-N- Molecular formula
- C8H4ClIN2O2
- Average molar mass
- 322.49 g/mol
Names & identifiers
- Preferred name
- 4-chloro-6-iodo-1H-indazole-3-carboxylic acid
- IUPAC
- 4-chloro-6-iodo-1H-indazole-3-carboxylic acid
- English name
- 4-Chloro-6-iodo-3-(1H)indazole carboxylic acid
- Molecular formula
- C8H4ClIN2O2
- Molecular weight
- 322.49
Names & synonyms
4-chloro-6-iodo-1H-indazole-3-carboxylic acid887568-26-54-Chloro-6-iodo-3-(1H)indazole carboxylic acid1H-Indazole-3-carboxylic acid, 4-chloro-6-iodo-
Database identifiers
- CAS
887568-26-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 534.5 · 534.5±45.0 °C(Predicted)
- Density
- 2.276 · 2.276±0.06 g/cm3(Predicted)
- pka
- 1.27 · 1.27±0.10(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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