3,4-Dibromo-6-cyano (1H)indazole
Basic information
- CAS
1082041-93-7- Standard SMILES
N#Cc1cc(Br)c2c(Br)[nH]nc2c1- InChIKey
SFMYVEOMIDWQOR-UHFFFAOYSA-N- Molecular formula
- C8H3Br2N3
- Average molar mass
- 300.94 g/mol
- Monoisotopic mass
- 298.86937
Names & identifiers
- Preferred name
- 3,4-Dibromo-6-cyano (1H)indazole
- IUPAC
- 3,4-dibromo-2H-indazole-6-carbonitrile
- English name
- 3,4-DibroMo-6-cyano (1H)indazole
- Molecular formula
- C8H3Br2N3
- Molecular weight
- 300.94
Names & synonyms
1082041-93-73,4-Dibromo-6-cyano (1H)indazole3,4-dibromo-1H-indazole-6-carbonitrile3,4-dibromo-2H-indazole-6-carbonitrile3,4-Dibromo-6-cyano(1h)indazoleDTXSID501284486DB-2039361H-Indazole-6-carbonitrile, 3,4-dibromo-
Database identifiers
- CAS
1082041-93-7- PubChem CID
- 53399360
- DTXSID
DTXSID501284486
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 449.5 · 449.5±40.0 °C(Predicted)
- Density
- 2.26 · 2.26±0.1 g/cm3(Predicted)
- pka
- 8.21 · 8.21±0.40(Predicted)
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Related reactions
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Compound notes
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