Basic information
- CAS
24963-29-9- Standard SMILES
CC(=O)n1c(=O)oc2ccc(Cl)cc21- InChIKey
LOYFUELOTCGIOH-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO3
- Average molar mass
- 211.6 g/mol
- Monoisotopic mass
- 211.0036207
Names & identifiers
- Preferred name
- 3-Acetyl-5-chloro-2(3H)-benzoxazolone
- IUPAC
- 3-acetyl-5-chloro-1,3-benzoxazol-2-one
- English name
- 3-Acetyl-5-chlorobenzoxazol-2(3H)-one
- Molecular formula
- C9H6ClNO3
- Molecular weight
- 211.6
Names & synonyms
2-BENZOXAZOLINONE, 3-ACETYL-5-CHLORO-24963-29-9DTXSID30179672RefChem:1067259DTXCID901021633-Acetyl-5-chloro-2(3H)-benzoxazolone3-acetyl-5-chloro-1,3-benzoxazol-2(3H)-oneBRN 11109973-Acetyl-5-chloro-2-benzoxazolinone2(3H)-benzoxazolone, 3-acetyl-5-chloro-LOYFUELOTCGIOH-UHFFFAOYSA-N3-Acetyl-5-chlorobenzoxazol-2(3H)-one
Database identifiers
- CAS
24963-29-9- PubChem CID
- 32753
- DTXSID
DTXSID30179672- Nikkaji
- J41.870F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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