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828936-87-4 | 4-Thiazolecarboxamide, 2-(2-hydroxy-5-iodophenyl)-N-methyl-
CAS No: 828936-87-4 Catalog No: AG0054FO MDL No:
Product Description
Catalog Number:
AG0054FO
Chemical Name:
4-Thiazolecarboxamide, 2-(2-hydroxy-5-iodophenyl)-N-methyl-
CAS Number:
828936-87-4
Molecular Formula:
C11H9IN2O2S
Molecular Weight:
360.1708
IUPAC Name:
2-(2-hydroxy-5-iodophenyl)-N-methyl-1,3-thiazole-4-carboxamide
InChI:
InChI=1S/C11H9IN2O2S/c1-13-10(16)8-5-17-11(14-8)7-4-6(12)2-3-9(7)15/h2-5,15H,1H3,(H,13,16)
InChI Key:
ZCTGDRALXXRUPB-UHFFFAOYSA-N
SMILES:
CNC(=O)c1csc(n1)c1cc(I)ccc1O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.943g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.169g/mol
Monoisotopic Mass:
359.943g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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