Structure

Clonixeril

CAS
21829-22-1
Catalog Number
ACM21829221
Category
Other Products
Molecular Formula
C16H17ClN2O4

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Specification

Synonyms
Clonixeril;2-[(3-Chloro-2-methylphenyl)amino]nicotinic acid 2,3-dihydroxypropyl ester;Sch-12707
IUPAC Name
2,3-dihydroxypropyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate
Canonical SMILES
CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)OCC(CO)O
InChI Key
SWYJYGCPTGKBDS-UHFFFAOYSA-N
Boiling Point
538.7ºC at 760 mmHg
Flash Point
279.6ºC
Density
1.384g/cm³
Exact Mass
336.08800
H-Bond Acceptor
6
H-Bond Donor
3
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