Basic information
- CAS
89441-14-5- Standard SMILES
CC(Cl)c1nc2c(F)cccc2c(=O)o1- InChIKey
HFCLDXYVFBIBKL-UHFFFAOYSA-N- Molecular formula
- C10H7ClFNO2
- Average molar mass
- 227.62 g/mol
- Monoisotopic mass
- 227.01493436
Names & identifiers
- Preferred name
- 2-(1-Chloroethyl)-8-fluoro-4H-3,1-benzoxazin-4-one
- IUPAC
- 2-(1-chloroethyl)-8-fluoro-3,1-benzoxazin-4-one
Names & synonyms
89441-14-52-(1-Chloroethyl)-8-fluoro-4H-3,1-benzoxazin-4-oneSCHEMBL10664722DTXSID20602944HFCLDXYVFBIBKL-UHFFFAOYSA-N2-(1-chloroethyl)-8-fluoro-4H-3,1-benzoxazine-4-one
Database identifiers
- CAS
89441-14-5- PubChem CID
- 20145691
- DTXSID
DTXSID20602944
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 308
Related reactions
6 records
Compound notes
Loading…