Basic information
- CAS
61466-18-0- Standard SMILES
Cc1ncc2c(n1)-c1cc(Cl)ccc1OC2O- InChIKey
LUBWHCBDKYVZOW-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O2
- Average molar mass
- 248.66 g/mol
- Monoisotopic mass
- 248.0352552
Names & identifiers
- Preferred name
- 9-Chloro-2-methyl-5H-[1]benzopyrano[4,3-d]pyrimidin-5-ol
- IUPAC
- 9-chloro-2-methyl-5H-chromeno[4,3-d]pyrimidin-5-ol
Names & synonyms
61466-18-0DTXSID604921899-Chloro-2-methyl-5H-[1]benzopyrano[4,3-d]pyrimidin-5-ol
Database identifiers
- CAS
61466-18-0- PubChem CID
- 12342575
- DTXSID
DTXSID60492189
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…