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890099-67-9 | 3-ACETOXY-4'-IODOBENZOPHENONE
CAS No: 890099-67-9 Catalog No: AG004446 MDL No:
Product Description
Catalog Number:
AG004446
Chemical Name:
3-ACETOXY-4'-IODOBENZOPHENONE
CAS Number:
890099-67-9
Molecular Formula:
C15H11IO3
Molecular Weight:
366.1505
IUPAC Name:
[3-(4-iodobenzoyl)phenyl] acetate
InChI:
InChI=1S/C15H11IO3/c1-10(17)19-14-4-2-3-12(9-14)15(18)11-5-7-13(16)8-6-11/h2-9H,1H3
InChI Key:
XQKGBWRAJWQSRU-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc(c1)C(=O)c1ccc(cc1)I
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.975g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.154g/mol
Monoisotopic Mass:
365.975g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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