CAS Registry Number: 943606-84-6

Name:

Isoquinoline, 1-​chloro-​6-​methyl-​5-​nitro-
1-​Chloro-​6-​methyl-​5-​nitroisoquinoline 

Chemical Formula: C10H7ClN2O2
Exact Mass: 222.02
Molecular Weight: 222.63
m/z: 222.02 (100.0%), 224.02 (32.5%), 223.02 (11.6%), 225.02 (3.5%)
Elemental Analysis: C, 53.95; H, 3.17; Cl, 15.92; N, 12.58; O, 14.37

InChI: InChI=1S/C10H7ClN2O2/c1-6-2-3-8-7(9(6)13(14)15)4-5-12-10(8)11/h2-5H,1H3
InChIKey: IWLPTUUERGDBAR-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C2=C(C=C1)C(=NC=C2)Cl)[N+](=O)[O-]

Specification

98%

1. (1) Smith, Adrian L.; Journal of Medicinal Chemistry 2009, V52(20), P6189-6192 CAPLUS