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101096-64-4 | Ethanone, 1-[2-hydroxy-3-iodo-4-(phenylmethoxy)phenyl]-
CAS No: 101096-64-4 Catalog No: AG0003QO MDL No:
Product Description
Catalog Number:
AG0003QO
Chemical Name:
Ethanone, 1-[2-hydroxy-3-iodo-4-(phenylmethoxy)phenyl]-
CAS Number:
101096-64-4
Molecular Formula:
C15H13IO3
Molecular Weight:
368.1664
IUPAC Name:
1-(2-hydroxy-3-iodo-4-phenylmethoxyphenyl)ethanone
InChI:
InChI=1S/C15H13IO3/c1-10(17)12-7-8-13(14(16)15(12)18)19-9-11-5-3-2-4-6-11/h2-8,18H,9H2,1H3
InChI Key:
LMISEFZDMRKEJW-UHFFFAOYSA-N
SMILES:
Ic1c(OCc2ccccc2)ccc(c1O)C(=O)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.991g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.17g/mol
Monoisotopic Mass:
367.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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