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1201811-11-1 | 5-Thiazolecarboxylic acid, 2-iodo-4-phenyl-
CAS No: 1201811-11-1 Catalog No: AG000QI9 MDL No:
Product Description
Catalog Number:
AG000QI9
Chemical Name:
5-Thiazolecarboxylic acid, 2-iodo-4-phenyl-
CAS Number:
1201811-11-1
Molecular Formula:
C10H6INO2S
Molecular Weight:
331.1296
IUPAC Name:
2-iodo-4-phenyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C10H6INO2S/c11-10-12-7(8(15-10)9(13)14)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChI Key:
NMAAXIBMDGAPGM-UHFFFAOYSA-N
SMILES:
Ic1sc(c(n1)c1ccccc1)C(=O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.916g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.127g/mol
Monoisotopic Mass:
330.916g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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