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CAS Number: 2561-17-3
1-ethynyl-3-fluorobenzene

Structure

1-ethynyl-3-fluorobenzene
Name: 1-ethynyl-3-fluorobenzene
Synonyms:
General Information
Product Number: 2561173

CAS Registry Number 2561-17-3
Name:
Benzene, 1-​ethynyl-​3-​fluoro-
(3-Fluorophenyl)ethyne
(m-Fluorophenyl)acetylene
1-Ethynyl-3-fluorobenzene
3-Fluoroethynylbenzene
3-Fluorophenylacetylene

 

Chemical Formula: C8H5F
Exact Mass: 120.04
Molecular Weight: 120.12
m/z: 120.04 (100.0%), 121.04 (8.7%)

 

InChI:InChI=1S/C8H5F/c1-2-7-4-3-5-8(9)6-7/h1,3-6H

InChI Key:PTRUTZFCVFUTMW-UHFFFAOYSA-N

Canonical SMILES:C#CC1=CC(=CC=C1)F

Specification

98%

References
  1. (5) Shivatare, Vidya S.; Journal of Physical Chemistry A 2014, V118(37), P8277-8286 CAPLUS
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