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89502-14-7 | 5-Thiazolecarboxylic acid, 4-(chlorosulfonyl)-2-methyl-, ethyl ester
CAS No: 89502-14-7 Catalog No: AG0041OQ MDL No:
Product Description
Catalog Number:
AG0041OQ
Chemical Name:
5-Thiazolecarboxylic acid, 4-(chlorosulfonyl)-2-methyl-, ethyl ester
CAS Number:
89502-14-7
Molecular Formula:
C7H8ClNO4S2
Molecular Weight:
269.7257
IUPAC Name:
ethyl 4-chlorosulfonyl-2-methyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C7H8ClNO4S2/c1-3-13-7(10)5-6(15(8,11)12)9-4(2)14-5/h3H2,1-2H3
InChI Key:
VJFAIDIECBATBK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1S(=O)(=O)Cl)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.958g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.714g/mol
Monoisotopic Mass:
268.958g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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