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951885-15-7 | 4-Ethyl-4'-iodobenzophenone
CAS No: 951885-15-7 Catalog No: AG01EZMX MDL No:
Product Description
Catalog Number:
AG01EZMX
Chemical Name:
4-Ethyl-4'-iodobenzophenone
CAS Number:
951885-15-7
Molecular Formula:
C15H13IO
Molecular Weight:
336.1676
IUPAC Name:
(4-ethylphenyl)-(4-iodophenyl)methanone
InChI:
InChI=1S/C15H13IO/c1-2-11-3-5-12(6-4-11)15(17)13-7-9-14(16)10-8-13/h3-10H,2H2,1H3
InChI Key:
JDTBTYRMJKNYRB-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)c1ccc(cc1)I
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.001g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.172g/mol
Monoisotopic Mass:
336.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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