Coumarin, 6-chloro-3-(4-pyridyl)-
Basic information
- CAS
840-32-4- Standard SMILES
O=c1oc2ccc(Cl)cc2cc1-c1ccncc1- InChIKey
JRWFNWPQMYOVSQ-UHFFFAOYSA-N- Molecular formula
- C14H8ClNO2
- Average molar mass
- 257.67 g/mol
- Monoisotopic mass
- 257.0243562
Names & identifiers
- Preferred name
- Coumarin, 6-chloro-3-(4-pyridyl)-
- IUPAC
- 6-chloro-3-pyridin-4-ylchromen-2-one
- English name
- 6-Chloro-3-(4-pyridyl)-2H-1-benzopyran-2-one
- Molecular weight
- 0
Names & synonyms
840-32-46-Chloro-3-(4-pyridyl)coumarinCOUMARIN, 6-CHLORO-3-(4-PYRIDYL)-BRN 0884141DTXSID30232892RefChem:334454DTXCID601553836-chloro-3-(pyridin-4-yl)-2H-chromen-2-one6-CHLORO-3-(PYRIDIN-4-YL)COUMARINJRWFNWPQMYOVSQ-UHFFFAOYSA-N6-chloro-3-(4-pyridinyl)-2H-chromen-2-one6-Chloro-3-(pyridin-4-yl)-2H-1-benzopyran-2-one
Show more names
6-Chloro-3-(4-pyridyl)-2H-1-benzopyran-2-one
Database identifiers
- CAS
840-32-4- PubChem CID
- 13287
- DTXSID
DTXSID30232892- Nikkaji
- J48.489J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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