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727421-75-2 | 3,4-(ETHYLENEDIOXY)-2'-IODOBENZOPHENONE
CAS No: 727421-75-2 Catalog No: AG005PSQ MDL No:
Product Description
Catalog Number:
AG005PSQ
Chemical Name:
3,4-(ETHYLENEDIOXY)-2'-IODOBENZOPHENONE
CAS Number:
727421-75-2
Molecular Formula:
C15H11IO3
Molecular Weight:
366.1505
IUPAC Name:
2,3-dihydro-1,4-benzodioxin-6-yl-(2-iodophenyl)methanone
InChI:
InChI=1S/C15H11IO3/c16-12-4-2-1-3-11(12)15(17)10-5-6-13-14(9-10)19-8-7-18-13/h1-6,9H,7-8H2
InChI Key:
RUMSQQQAZXXPJT-UHFFFAOYSA-N
SMILES:
Ic1ccccc1C(=O)c1ccc2c(c1)OCCO2
Properties
Complexity:
333
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:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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