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158782-43-5 | 5-Thiazolecarboxylic acid, 2-chloro-4-methyl-, methyl ester
CAS No: 158782-43-5 Catalog No: AG001QUS MDL No:
Product Description
Catalog Number:
AG001QUS
Chemical Name:
5-Thiazolecarboxylic acid, 2-chloro-4-methyl-, methyl ester
CAS Number:
158782-43-5
Molecular Formula:
C6H6ClNO2S
Molecular Weight:
191.6353
IUPAC Name:
methyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C6H6ClNO2S/c1-3-4(5(9)10-2)11-6(7)8-3/h1-2H3
InChI Key:
MGEFNRSPNMIDQH-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1C(=O)OC)Cl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.629g/mol
Monoisotopic Mass:
190.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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