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1378668-15-5 | 2-(4-Iodobenzoyl)thiazole
CAS No: 1378668-15-5 Catalog No: AG01FFI4 MDL No:
Product Description
Catalog Number:
AG01FFI4
Chemical Name:
2-(4-Iodobenzoyl)thiazole
CAS Number:
1378668-15-5
Molecular Formula:
C10H6INOS
Molecular Weight:
315.1302
IUPAC Name:
(4-iodophenyl)-(1,3-thiazol-2-yl)methanone
InChI:
InChI=1S/C10H6INOS/c11-8-3-1-7(2-4-8)9(13)10-12-5-6-14-10/h1-6H
InChI Key:
WVPVKNHKUHGJLP-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C(=O)c1nccs1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.921g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.128g/mol
Monoisotopic Mass:
314.921g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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