4H-1-Benzopyran-2-carbonitrile, 8-bromo-6-methyl-4-oxo-
Basic information
- CAS
38243-63-9- Standard SMILES
Cc1cc(Br)c2oc(C#N)cc(=O)c2c1- InChIKey
UWMLCDSZGKJKIK-UHFFFAOYSA-N- Molecular formula
- C11H6BrNO2
- Average molar mass
- 264.07 g/mol
- Monoisotopic mass
- 262.95819
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carbonitrile, 8-bromo-6-methyl-4-oxo-
- IUPAC
- 8-bromo-6-methyl-4-oxochromene-2-carbonitrile
Names & synonyms
4H-1-Benzopyran-2-carbonitrile, 8-bromo-6-methyl-4-oxo-BRN 137612038243-63-98-Bromo-6-methyl-4-oxo-4H-1-benzopyran-2-carbonitrileDTXSID901916385-18-08-00340 (Beilstein Handbook Reference)RefChem:297160DTXCID30114129
Database identifiers
- CAS
38243-63-9- PubChem CID
- 217196
- DTXSID
DTXSID90191638
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 368
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…