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CAS Number: 61861-88-9
3-methyl-5-nitro-1H-indole

Structure

3-methyl-5-nitro-1H-indole
Name: 3-methyl-5-nitro-1H-indole
Synonyms:
General Information
Product Number: 61861889

CAS Registry Number 61861-88-9
Name:
1H-​Indole, 3-​methyl-​5-​nitro-
3-Methyl-5-nitroindole

 

Chemical Formula: C9H8N2O2
Exact Mass: 176.06
Molecular Weight: 176.17
m/z: 176.06 (100.0%), 177.06 (10.6%)

 

InChI:InChI=1S/C9H8N2O2/c1-6-5-10-9-3-2-7(11(12)13)4-8(6)9/h2-5,10H,1H3

InChI Key:LPFQDJBJGFUMRG-UHFFFAOYSA-N

Canonical SMILES:CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 128 °C   (1)IC

Specification

98%

References
  1. (1) Fadda, A. A.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1990, V29B(11), P1017-19 CAPLUS
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