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CAS Number: 129822-45-3
tert-butyl 4-fluoro-1H-indole-1-carboxylate

Structure

tert-butyl 4-fluoro-1H-indole-1-carboxylate
Name: tert-butyl 4-fluoro-1H-indole-1-carboxylate
Synonyms:
General Information
Product Number: 129822453
CAS Number:
129822-45-3
Name:
        1H-Indole-1-carboxylic acid, 4-fluoro-, 1,1-dimethylethyl ester
1-(tert-Butoxycarbonyl)-4-fluoroindole; 4-Fluoroindolyl-1-carboxylic acid tert-butyl ester 
Chemical Formula: C13H14FNO2
Exact Mass: 235.10
Molecular Weight: 235.25
m/z: 235.10 (100.0%), 236.10 (14.4%), 237.11 (1.4%)
Elemental Analysis: C, 66.37; H, 6.00; F, 8.08; N, 5.95; O, 13.60
 
InChI: InChI=1S/C13H14FNO2/c1-13(2,
3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-8H,1-3H3
InChIKey: HWVFAXLKBJQDMB-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2F
 
Thermal Properties Value Condition Note
Melting Point 49-51 °C   (1)CAS

Specification

98%

References
  1. (1) Watson, Donald A.; Science (Washington, DC, United States) 2009, V325(5948), P1661-1664 CAPLUS
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