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890098-47-2 | 3-ETHOXYCARBONYL-4'-IODOBENZOPHENONE
CAS No: 890098-47-2 Catalog No: AG0044RK MDL No:
Product Description
Catalog Number:
AG0044RK
Chemical Name:
3-ETHOXYCARBONYL-4'-IODOBENZOPHENONE
CAS Number:
890098-47-2
Molecular Formula:
C16H13IO3
Molecular Weight:
380.1771
IUPAC Name:
ethyl 3-(4-iodobenzoyl)benzoate
InChI:
InChI=1S/C16H13IO3/c1-2-20-16(19)13-5-3-4-12(10-13)15(18)11-6-8-14(17)9-7-11/h3-10H,2H2,1H3
InChI Key:
VQGUWISMOPWHSG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)C(=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:
4.1
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