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872835-39-7 | 4-Heptanone, 5-ethyl-1-(2-iodophenyl)-
CAS No: 872835-39-7 Catalog No: AG004LSW MDL No:
Product Description
Catalog Number:
AG004LSW
Chemical Name:
4-Heptanone, 5-ethyl-1-(2-iodophenyl)-
CAS Number:
872835-39-7
Molecular Formula:
C15H21IO
Molecular Weight:
344.2311
IUPAC Name:
5-ethyl-1-(2-iodophenyl)heptan-4-one
InChI:
InChI=1S/C15H21IO/c1-3-12(4-2)15(17)11-7-9-13-8-5-6-10-14(13)16/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3
InChI Key:
BZLGTUVEDOKUAG-UHFFFAOYSA-N
SMILES:
CCC(C(=O)CCCc1ccccc1I)CC
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.236g/mol
Monoisotopic Mass:
344.064g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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