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890098-45-0 | 2-ETHOXYCARBONYL-4'-IODOBENZOPHENONE
CAS No: 890098-45-0 Catalog No: AG0044RL MDL No:
Product Description
Catalog Number:
AG0044RL
Chemical Name:
2-ETHOXYCARBONYL-4'-IODOBENZOPHENONE
CAS Number:
890098-45-0
Molecular Formula:
C16H13IO3
Molecular Weight:
380.1771
IUPAC Name:
ethyl 2-(4-iodobenzoyl)benzoate
InChI:
InChI=1S/C16H13IO3/c1-2-20-16(19)14-6-4-3-5-13(14)15(18)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3
InChI Key:
OODHNBLTCQNBJM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1C(=O)c1ccc(cc1)I
Properties
Complexity:
348
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:
3.7
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