Basic information
- Standard SMILES
O=[N+]([O-])c1cc(O)cc2n[nH]c(Br)c12- InChIKey
SNFJFZLVOBRRJW-UHFFFAOYSA-N- Molecular formula
- C7H4BrN3O3
- Average molar mass
- 258.03 g/mol
- Monoisotopic mass
- 256.94360309
Names & identifiers
- Preferred name
- 3-Bromo-6-hydroxy-4-nitro1H-indazole
- IUPAC
- 3-bromo-4-nitro-2H-indazol-6-ol
- English name
- 3-Bromo-6-hydroxy-4-nitro1h-indazole
- Molecular formula
- C7H4BrN3O3
- Molecular weight
- 258.03
Names & synonyms
3-Bromo-6-hydroxy-4-nitro1H-indazole1082041-19-73-bromo-4-nitro-2H-indazol-6-ol3-Bromo-4-nitro-1H-indazol-6-ol3-bromo-6-hydroxy-4-nitro-1H-indazoleDTXSID101303282DB-2044741H-Indazol-6-ol, 3-bromo-4-nitro-
Database identifiers
- CAS
1082041-19-7- PubChem CID
- 136268828
- DTXSID
DTXSID101303282
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 514.2 · 514.2±50.0 °C(Predicted)
- Density
- 2.122 · 2.122±0.06 g/cm3(Predicted)
- pka
- 7.11 · 7.11±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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