2-Benzoxazolinone, 5-chloro-3-ethyl-
Basic information
- CAS
5790-91-0- Standard SMILES
CCn1c(=O)oc2ccc(Cl)cc21- InChIKey
NGNSUTIRTDXXGA-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO2
- Average molar mass
- 197.62 g/mol
- Monoisotopic mass
- 197.0243562
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 5-chloro-3-ethyl-
- IUPAC
- 5-chloro-3-ethyl-1,3-benzoxazol-2-one
- English name
- 5-Chloro-3-ethylbenzoxazol-2(3H)-one
- Molecular formula
- C9H8ClNO2
- Molecular weight
- 197.62
Names & synonyms
2-BENZOXAZOLINONE, 5-CHLORO-3-ETHYL-5-Chloro-3-ethyl-2-benzoxazolinone5790-91-05-chloro-3-ethyl-1,3-benzoxazol-2-oneLHH5QQC85TNSC 24961BRN 0645231NSC-24961DTXSID602066222(3H)-Benzoxazolone, 5-chloro-3-ethyl-5-CHLORO-3-ETHYL-2(3H)-BENZOXAZOLONERefChem:197681
Show more names
5-Chloro-3-ethylbenzoxazol-2(3H)-one
DTXCID90129113NSC24961UNII-LHH5QQC85TSCHEMBL6425871WLN: T56 BNVOJ B2 HG5-Chloro-3-ethyl-1,3-benzoxazol-2(3H)-one
Database identifiers
- CAS
5790-91-0- PubChem CID
- 22034
- DTXSID
DTXSID60206622- UNII
- LHH5QQC85T
- Nikkaji
- J41.862E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- FDA UNII
- 5 QQC85T · LHH5QQC85T
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Related reactions
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Compound notes
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