ST50974918
Basic information
- CAS
62775-22-8- Standard SMILES
CC1(C)C(=O)C(=O)c2cnn(-c3ccccc3)c2C1Br- InChIKey
YCCJCHYJLVSDEO-UHFFFAOYSA-N- Molecular formula
- C15H13BrN2O2
- Average molar mass
- 333.18 g/mol
- Monoisotopic mass
- 332.01604
Names & identifiers
- Preferred name
- ST50974918
- IUPAC
- 7-bromo-6,6-dimethyl-1-phenyl-7H-indazole-4,5-dione
Names & synonyms
62775-22-8ST50974918DTXSID30399772RefChem:381702DTXCID10350629AKOS001704890SR-01000089847SR-01000089847-17-bromo-6,6-dimethyl-1-phenyl-1H-6,7-dihydroindazole-4,5-dione7-bromo-6,6-dimethyl-1-phenyl-6,7-dihydro-1H-indazole-4,5-dione
Database identifiers
- CAS
62775-22-8- PubChem CID
- 4137873
- DTXSID
DTXSID30399772
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 432
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Related reactions
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Compound notes
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