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CAS Number: 874880-58-7
4-amino-3-bromo-5-fluorobenzonitrile

Structure

4-amino-3-bromo-5-fluorobenzonitrile
Name: 4-amino-3-bromo-5-fluorobenzonitrile
Synonyms:
General Information
Product Number: 874880587
CAS Registry Number: 874880-58-7
Name:
        Benzonitrile, 4-​amino-​3-​bromo-​5-​fluoro-
        2-​Bromo-​4-​cyano-​5-​fluoroaniline; 4-​Amino-​3-​bromo-​5-​fluorobenzonitrile 
 
        Deleted CAS Registry Numbers: 1204574-​77-​5
 
Chemical Formula: C7H4BrFN2
Exact Mass: 213.95
Molecular Weight: 215.02
m/z: 213.95 (100.0%), 215.95 (97.3%), 214.96 (7.6%), 216.96 (7.4%)
Elemental Analysis: C, 39.10; H, 1.88; Br, 37.16; F, 8.84; N, 13.03
 
InChI: InChI=1S/C7H4BrFN2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
InChIKey: JAEADHWFVOCKED-UHFFFAOYSA-N
Canonical SMILES : C1=C(C=C(C(=C1F)N)Br)C#N

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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