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163394-74-9 | Benzene, 1-[4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]-2-iodo-
CAS No: 163394-74-9 Catalog No: AG001U2U MDL No:
Product Description
Catalog Number:
AG001U2U
Chemical Name:
Benzene, 1-[4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]-2-iodo-
CAS Number:
163394-74-9
Molecular Formula:
C16H21I
Molecular Weight:
340.2424
IUPAC Name:
1-(4-tert-butylcyclohexen-1-yl)-2-iodobenzene
InChI:
InChI=1S/C16H21I/c1-16(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)17/h4-8,13H,9-11H2,1-3H3
InChI Key:
VLSGNLMLRWTLBE-UHFFFAOYSA-N
SMILES:
Ic1ccccc1C1=CCC(CC1)C(C)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.248g/mol
Monoisotopic Mass:
340.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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