3-Allyl-5-chloro-2-benzoxazolinone
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Basic information
- CAS
24963-36-8- Standard SMILES
C=CCn1c(=O)oc2ccc(Cl)cc21- InChIKey
QRRNAEXZIDFDBE-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO2
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0243562
Names & identifiers
- Preferred name
- 3-Allyl-5-chloro-2-benzoxazolinone
- IUPAC
- 5-chloro-3-prop-2-enyl-1,3-benzoxazol-2-one
- English name
- 3-Allyl-5-chlorobenzoxazol-2(3H)-one
- Molecular formula
- C10H8ClNO2
- Molecular weight
- 209.63
Names & synonyms
2-BENZOXAZOLINONE, 3-ALLYL-5-CHLORO-24963-36-83-Allyl-5-chloro-2-benzoxazolinoneLXJ4CNU097NSC 24957BRN 0644874NSC-24957UNII-LXJ4CNU097DTXSID901796735-CHLORO-3-(2-PROPEN-1-YL)-2(3H)-BENZOXAZOLONE(3H)-BENZOXAZOLONE, 5-CHLORO-3-(2-PROPEN-1-YL)-RefChem:198224
Show more names
2(3H)-Benzoxazolone, 5-chloro-3-(2-propen-1-yl)-
DTXCID501021643-Allyl-5-chlorobenzoxazol-2(3H)-one3-allyl-5-chlorobenzo[d]oxazol-2(3H)-one5-chloro-3-(prop-2-en-1-yl)-1,3-benzoxazol-2(3H)-oneNSC24957CHEMBL2235935STK738765AKOS002259191
Database identifiers
- CAS
24963-36-8- PubChem CID
- 32754
- DTXSID
DTXSID90179673- ChEMBL
CHEMBL2235935- UNII
- LXJ4CNU097
- Nikkaji
- J41.871D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- FDA UNII
- 4 CNU097 · LXJ4CNU097
Related reactions
0 records
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Compound notes
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