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CAS Number: 106157-91-9
1-(2-aminopyrimidin-4-yl)-2-bromoethanone

Structure

1-(2-aminopyrimidin-4-yl)-2-bromoethanone
Name: 1-(2-aminopyrimidin-4-yl)-2-bromoethanone
Synonyms:
General Information
Product Number: 106157919
CAS Registry Number: 106157-91-9
Name:
        Ethanone, 1-​(2-​amino-​4-​pyrimidinyl)​-​2-​bromo-
 
Chemical Formula: C6H6BrN3O
Exact Mass: 214.97
Molecular Weight: 216.04
m/z: 214.97 (100.0%), 216.97 (97.6%), 215.97 (7.6%), 217.97 (6.4%), 217.96 (1.1%)
Elemental Analysis: C, 33.36; H, 2.80; Br, 36.99; N, 19.45; O, 7.41
 
InChI: InChI=1S/C6H6BrN3O/c7-3-5(11)4-1-2-9-6(8)10-4/h1-2H,3H2,(H2,8,9,10)
InChIKey: OKALLUYOARJPGY-UHFFFAOYSA-N
Canonical SMILES : C1=CN=C(N=C1C(=O)CBr)N
 
Thermal Properties Value Condition Note
Melting Point >300 °C   (1)IC

Specification

98%

References
  1. (1) Lipinski, Christopher A.; Journal of Heterocyclic Chemistry 1985, V22(6), P1723-6 CAPLUS
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