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93087-37-7 | 4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone
CAS No: 93087-37-7 Catalog No: AG00GXD0 MDL No:
Product Description
Catalog Number:
AG00GXD0
Chemical Name:
4-[[4-(Acetyloxy)-3,5-diiodophenyl]methylene]-2-methyl-5(4H)-oxazolone
CAS Number:
93087-37-7
IUPAC Name:
[2,6-diiodo-4-[(E)-(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
InChI:
InChI=1S/C13H9I2NO4/c1-6-16-11(13(18)19-6)5-8-3-9(14)12(10(15)4-8)20-7(2)17/h3-5H,1-2H3/b11-5+
InChI Key:
JRVMVIJKFXPLNL-VZUCSPMQSA-N
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
496.862g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.027g/mol
Monoisotopic Mass:
496.862g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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