Basic information
- CAS
885522-21-4- Standard SMILES
O=C(O)c1cc(Cl)cc2n[nH]c(Br)c12- InChIKey
GMNXEEGWKAKIJY-UHFFFAOYSA-N- Molecular formula
- C8H4BrClN2O2
- Average molar mass
- 275.48 g/mol
- Monoisotopic mass
- 273.91447
Names & identifiers
- Preferred name
- 3-Bromo-6-chloro-1H-indazole-4-carboxylic acid
- IUPAC
- 3-bromo-6-chloro-2H-indazole-4-carboxylic acid
- English name
- 3-Bromo-6-chloro-4-indazolecarboxylic acid
- Molecular formula
- C8H4BrClN2O2
- Molecular weight
- 275.49
Names & synonyms
3-Bromo-6-chloro-1H-indazole-4-carboxylic acid885522-21-43-bromo-6-chloro-2H-indazole-4-carboxylic acid3-Bromo-6-chloro-1H-indazole-4-carboxylicacid3-Bromo-6-chloro-4-indazolecarboxylic acidDTXSID80646384MFCD07781760AKOS016004110DB-339252G837331H-Indazole-4-carboxylic acid, 3-bromo-6-chloro-
Database identifiers
- CAS
885522-21-4- PubChem CID
- 24728362
- DTXSID
DTXSID80646384
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
- 510.7 · 510.7±45.0 °C(Predicted)
- Density
- 2.029 · 2.029±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.48 · 1.48±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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.
Compound notes
Loading…