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918108-26-6 | 3(2H)-Isothiazolone, 2-[(4-iodophenyl)methyl]-
CAS No: 918108-26-6 Catalog No: AG0069YG MDL No:
Product Description
Catalog Number:
AG0069YG
Chemical Name:
3(2H)-Isothiazolone, 2-[(4-iodophenyl)methyl]-
CAS Number:
918108-26-6
Molecular Formula:
C10H8INOS
Molecular Weight:
317.1461
IUPAC Name:
2-[(4-iodophenyl)methyl]-1,2-thiazol-3-one
InChI:
InChI=1S/C10H8INOS/c11-9-3-1-8(2-4-9)7-12-10(13)5-6-14-12/h1-6H,7H2
InChI Key:
FRNBEDZGTNFIFE-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)Cn1sccc1=O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.937g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.144g/mol
Monoisotopic Mass:
316.937g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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