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CAS Number: 127557-04-4
8-fluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one

Structure

8-fluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one
Name: 8-fluoro-3,4-dihydrobenzo[b]oxepin-5(2H)-one
Synonyms:
General Information
Product Number: 127557044

CAS Registry Number 127557-04-4
Name:
1-?Benzoxepin-?5(2H)?-?one, 8-?fluoro-?3,?4-?dihydro-

 

Chemical Formula: C10H9FO2
Exact Mass: 180.06
Molecular Weight: 180.18
m/z: 180.06 (100.0%), 181.06 (11.0%)

 

InChI:InChI=1S/C10H9FO2/c11-7-3-4-8-9(12)2-1-5-13-10(8)6-7/h3-4,6H,1-2,5H2

InChI Key:MZXMTGIFAONJNH-UHFFFAOYSA-N

Canonical SMILES:C1CC(=O)C2=C(C=C(C=C2)F)OC1

 

Thermal Properties Value Condition Note
Melting Point 53-55 °C Solv: hexane (110-54-3) (2)IC

Specification

98%

References

(2) Freedman, Jules; Journal of Heterocyclic Chemistry 1989, V26(6), P1547-54 CAPLUS

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