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140173-40-6 | 4H-1-Benzothiopyran-4-one, 3-iodo-2-phenyl-
CAS No: 140173-40-6 Catalog No: AG001C49 MDL No:
Product Description
Catalog Number:
AG001C49
Chemical Name:
4H-1-Benzothiopyran-4-one, 3-iodo-2-phenyl-
CAS Number:
140173-40-6
Molecular Formula:
C15H9IOS
Molecular Weight:
364.2008
IUPAC Name:
3-iodo-2-phenylthiochromen-4-one
InChI:
InChI=1S/C15H9IOS/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
InChI Key:
ORZFPZFLUTXBCN-UHFFFAOYSA-N
SMILES:
O=c1c(I)c(sc2c1cccc2)c1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.942g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.2g/mol
Monoisotopic Mass:
363.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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