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1823921-66-9 | 5-Thiazoleacetic acid, 2-chloro-, ethyl ester
CAS No: 1823921-66-9 Catalog No: AG0023T6 MDL No:
Product Description
Catalog Number:
AG0023T6
Chemical Name:
5-Thiazoleacetic acid, 2-chloro-, ethyl ester
CAS Number:
1823921-66-9
Molecular Formula:
C7H8ClNO2S
Molecular Weight:
205.6619
IUPAC Name:
ethyl 2-(2-chloro-1,3-thiazol-5-yl)acetate
InChI:
InChI=1S/C7H8ClNO2S/c1-2-11-6(10)3-5-4-9-7(8)12-5/h4H,2-3H2,1H3
InChI Key:
JKYWTPFAGNJLRC-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cnc(s1)Cl
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.656g/mol
Monoisotopic Mass:
204.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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