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100960-16-5 | 2-Thiazolecarboxylic acid, 4-(chloromethyl)-, ethyl ester
CAS No: 100960-16-5 Catalog No: AG0003BL MDL No:MFCD10697515
Product Description
Catalog Number:
AG0003BL
Chemical Name:
2-Thiazolecarboxylic acid, 4-(chloromethyl)-, ethyl ester
CAS Number:
100960-16-5
Molecular Formula:
C7H8ClNO2S
Molecular Weight:
205.6619
MDL Number:
MFCD10697515
IUPAC Name:
ethyl 4-(chloromethyl)-1,3-thiazole-2-carboxylate
InChI:
InChI=1S/C7H8ClNO2S/c1-2-11-7(10)6-9-5(3-8)4-12-6/h4H,2-3H2,1H3
InChI Key:
JSYOQGQNLKDSGQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1scc(n1)CCl
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:
1.9
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