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CAS Number: 79418-78-3
3-fluoro-4-hydroxy-5-methoxybenzaldehyde

Structure

3-fluoro-4-hydroxy-5-methoxybenzaldehyde
Name: 3-fluoro-4-hydroxy-5-methoxybenzaldehyde
Synonyms:
General Information
Product Number: 79418783
CAS Registry Number: 79418-78-3
Name:
        Benzaldehyde, 3-​fluoro-​4-​hydroxy-​5-​methoxy-
        3-​Fluoro-​4-​hydroxy-​5-​methoxybenzaldehyde; 3-​Fluoro-​5-​methoxy-​4-​hydroxybenzaldehyde; 5-​Fluoro-​4-​hydroxy-​3-​methoxybenzaldehyde; 5-​Fluorovanillin 
 
Chemical Formula: C8H7FO3
Exact Mass: 170.04
Molecular Weight: 170.14
m/z: 170.04 (100.0%), 171.04 (8.8%)
Elemental Analysis: C, 56.48; H, 4.15; F, 11.17; O, 28.21
 
InChI: InChI=1S/C8H7FO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChIKey: OOGOFUKAJDPHDJ-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C(=CC(=C1)C=O)F)O

Specification

98%

References
  1. (1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2014 ACD/Labs)
  2. (2) Predicted NMR data calculated using Advanced Chemistry Development, Inc. (ACD/Labs) Software V11.01 (© 1994-2014 ACD/Labs)
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