Basic information
- Standard SMILES
CC1(C)CC(Br)c2cc(C#N)ccc2O1- InChIKey
IIBHQTXJTUSHBK-UHFFFAOYSA-N- Molecular formula
- C12H12BrNO
- Average molar mass
- 266.13 g/mol
Names & identifiers
- Preferred name
- 4-bromo-6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran
- IUPAC
- 4-bromo-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
Names & synonyms
SCHEMBL6559220IIBHQTXJTUSHBK-UHFFFAOYSA-N4-bromo-6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran2,2-dimethyl-4-bromo-6-cyanochroman4-bromo-6-cyano-2,2-dimethylchroman4-Bromo-6-cyano-3,4-dihydro-2,2-dimethyl-2H- 1-benzopyran6-cyano-3,4-dihydro-2,2-dimethyl-4-bromo-2H-1-benzopyran
Database identifiers
- PubChem CID
- 10244628
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 293
Related reactions
15 records
Compound notes
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