Basic information
- Standard SMILES
Cc1c(Br)c(F)c2oc(C3CC3)nc2c1C#N- InChIKey
VOWZHBQDXGPRFC-UHFFFAOYSA-N- Molecular formula
- C12H8BrFN2O
- Average molar mass
- 295.11 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-2-cyclopropyl-7-fluoro-5-methylbenzoxazole-4-carbonitrile
- IUPAC
- 6-bromo-2-cyclopropyl-7-fluoro-5-methyl-1,3-benzoxazole-4-carbonitrile
Names & synonyms
SCHEMBL3292443VOWZHBQDXGPRFC-UHFFFAOYSA-N6-Bromo-2-cyclopropyl-7-fluoro-5-methylbenzoxazole-4-carbonitrile6-bromo-2-cyclopropyl-7-fluoro-5-methyl-1,3-benzoxazole-4-carbonitrile
Database identifiers
- PubChem CID
- 51041427
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 367
Related reactions
29 records
Linked notes
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