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160565-78-6 | 1-Hexanone, 1-(4-iodophenyl)-
CAS No: 160565-78-6 Catalog No: AG001S1E MDL No:
Product Description
Catalog Number:
AG001S1E
Chemical Name:
1-Hexanone, 1-(4-iodophenyl)-
CAS Number:
160565-78-6
Molecular Formula:
C12H15IO
Molecular Weight:
302.1514
IUPAC Name:
1-(4-iodophenyl)hexan-1-one
InChI:
InChI=1S/C12H15IO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9H,2-5H2,1H3
InChI Key:
KEILKZSAIXATSK-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)c1ccc(cc1)I
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.155g/mol
Monoisotopic Mass:
302.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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