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111558-77-1 | Benzene, [2-(1,1-dimethylethoxy)-1-iodoethyl]-
CAS No: 111558-77-1 Catalog No: AG007SOX MDL No:
Product Description
Catalog Number:
AG007SOX
Chemical Name:
Benzene, [2-(1,1-dimethylethoxy)-1-iodoethyl]-
CAS Number:
111558-77-1
Molecular Formula:
C12H17IO
Molecular Weight:
304.1673
IUPAC Name:
[1-iodo-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
InChI:
InChI=1S/C12H17IO/c1-12(2,3)14-9-11(13)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChI Key:
CWCAKNLDPUWVHV-UHFFFAOYSA-N
SMILES:
IC(c1ccccc1)COC(C)(C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.171g/mol
Monoisotopic Mass:
304.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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