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890098-35-8 | 3-ETHOXYCARBONYL-2'-IODOBENZOPHENONE
CAS No: 890098-35-8 Catalog No: AG0043ND MDL No:
Product Description
Catalog Number:
AG0043ND
Chemical Name:
3-ETHOXYCARBONYL-2'-IODOBENZOPHENONE
CAS Number:
890098-35-8
Molecular Formula:
C16H13IO3
Molecular Weight:
380.1771
IUPAC Name:
ethyl 3-(2-iodobenzoyl)benzoate
InChI:
InChI=1S/C16H13IO3/c1-2-20-16(19)12-7-5-6-11(10-12)15(18)13-8-3-4-9-14(13)17/h3-10H,2H2,1H3
InChI Key:
XUUIPZYODDWZDO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)C(=O)c1ccccc1I
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.991g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.181g/mol
Monoisotopic Mass:
379.991g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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