Basic information
- Standard SMILES
O=C(O)c1n[nH]c2cc(I)cc(O)c12- InChIKey
ZUWXTFLBNFYXQG-UHFFFAOYSA-N- Molecular formula
- C8H5IN2O3
- Average molar mass
- 304.04 g/mol
- Monoisotopic mass
- 303.93449002
Names & identifiers
- Preferred name
- 6-Iodo-4-hydroxy-3-indazolecarboxylic acid
- IUPAC
- 4-hydroxy-6-iodo-1H-indazole-3-carboxylic acid
- English name
- 6-IODO-4-HYDROXY-3-INDAZOLECARBOXYLIC ACID
- Molecular formula
- C8H5IN2O3
- Molecular weight
- 304.04
Names & synonyms
6-Iodo-4-hydroxy-3-indazolecarboxylic acid887570-52-74-hydroxy-6-iodo-1H-indazole-3-carboxylic acidDTXSID5012481891H-Indazole-3-carboxylic acid, 4-hydroxy-6-iodo-
Database identifiers
- CAS
887570-52-7- PubChem CID
- 135890256
- DTXSID
DTXSID501248189
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 608 · 608.0±55.0 °C(Predicted)
- Density
- 2.372 · 2.372±0.06 g/cm3(Predicted)
- pka
- 1.99 · 1.99±0.10(Predicted)
Chemistry & industry
Suppliers3 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
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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