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1231216-76-4 | 5-Thiazolecarboxylic acid, 2-chloro-, (3,4-dichloro-5-isothiazolyl)methyl ester
CAS No: 1231216-76-4 Catalog No: AG000K28 MDL No:
Product Description
Catalog Number:
AG000K28
Chemical Name:
5-Thiazolecarboxylic acid, 2-chloro-, (3,4-dichloro-5-isothiazolyl)methyl ester
CAS Number:
1231216-76-4
Molecular Formula:
C8H3Cl3N2O2S2
Molecular Weight:
329.6106
IUPAC Name:
(3,4-dichloro-1,2-thiazol-5-yl)methyl 2-chloro-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C8H3Cl3N2O2S2/c9-5-4(17-13-6(5)10)2-15-7(14)3-1-12-8(11)16-3/h1H,2H2
InChI Key:
TUPUDNBKXYPRGN-UHFFFAOYSA-N
SMILES:
Clc1ncc(s1)C(=O)OCc1snc(c1Cl)Cl
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.87g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.594g/mol
Monoisotopic Mass:
327.87g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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