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CAS Number: 55404-29-0
4-nitroisoquinolin-1(2H)-one

Structure

 4-nitroisoquinolin-1(2H)-one
Name: 4-nitroisoquinolin-1(2H)-one
Synonyms:
General Information
Product Number: 55404290

CAS Registry Number 55404-29-0
Name:
1(2H)?-?Isoquinolinone, 4-?nitro-
Isocarbostyril, 4-nitro- (6CI)
4-Nitro-1(2H)-isoquinolinone
1-Hydroxy-4-nitroisoquinoline
4-Nitro-1-hydroxyisoquinoline
4-Nitro-1-isoquinolinol

 

Chemical Formula: C9H6N2O3
Exact Mass: 190.04
Molecular Weight: 190.16
m/z: 190.04 (100.0%), 191.04 (9.9%), 192.04 (1.1%)

 

InChI:InChI=1S/C9H6N2O3/c12-9-7-4-2-1-3-6(7)8(5-10-9)11(13)14/h1-5H,(H,10,12)

InChI Key:HBIRBNQMLAPWOH-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CNC2=O)[N+](=O)[O-]

Specification

98%
References

PCT Int. Appl. (2014), WO 2014078454 A1 20140522. 

PCT Int. Appl. (2013), WO 2013178362 A1 20131205.
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