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CAS Number: 907545-47-5
2-chloro-5-nitroisonicotinic acid

Structure

2-chloro-5-nitroisonicotinic acid
Name: 2-chloro-5-nitroisonicotinic acid
Synonyms:
General Information
Product Number: 907545475
CAS Registry Number:
907545-47-5
Name:
4-​Pyridinecarboxylic acid, 2-​chloro-​5-​nitro-
2-​Chloro-​5-​nitroisonicotinic acid; 2-​Chloro-​5-​nitropyridine-​4-​carboxylic acid 
 
Chemical Formula: C6H3ClN2O4
Exact Mass: 201.98
Molecular Weight: 202.55
m/z: 201.98 (100.0%), 203.98 (33.0%), 202.98 (7.4%), 204.98 (2.1%)
Elemental Analysis: C, 35.58; H, 1.49; Cl, 17.50; N, 13.83; O, 31.60
 
InChI: InChI=1S/C6H3ClN2O4/c7-5-1-3(6(10)11)4(2-8-5)9(12)13/h1-2H,(H,10,11)
InChIKey: YIKBSICAFIIUER-UHFFFAOYSA-N
Canonical SMILES : C1=C(C(=CN=C1Cl)[N+](=O)[O-])C(=O)O

Specification

98%

References

PCT Int. Appl. (2013), WO 2013161904 A1 20131031.

PCT Int. Appl. (2013), WO 2013095761 A1 20130627.

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