Basic information
- CAS
33544-17-1- Standard SMILES
N#Cc1cc(=O)c2cc(Cl)ccc2o1- InChIKey
DEVAUIJLYYGHJF-UHFFFAOYSA-N- Molecular formula
- C10H4ClNO2
- Average molar mass
- 205.6 g/mol
- Monoisotopic mass
- 204.9930561
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carbonitrile, 6-chloro-4-oxo-
- IUPAC
- 6-chloro-4-oxochromene-2-carbonitrile
Names & synonyms
4H-1-Benzopyran-2-carbonitrile, 6-chloro-4-oxo-6-Chloro-4-oxo-4H-1-benzopyran-2-carbonitrileBRN 142641733544-17-1DTXSID201872265-18-08-00317 (Beilstein Handbook Reference)RefChem:297155DTXCID30109717SCHEMBL6957384DB-156206
Database identifiers
- CAS
33544-17-1- PubChem CID
- 214641
- DTXSID
DTXSID20187226
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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