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115117-52-7 | Benzene, [2,2-diiodo-1-(1-methylethoxy)ethenyl]-
CAS No: 115117-52-7 Catalog No: AG000GAE MDL No:
Product Description
Catalog Number:
AG000GAE
Chemical Name:
Benzene, [2,2-diiodo-1-(1-methylethoxy)ethenyl]-
CAS Number:
115117-52-7
Molecular Formula:
C11H12I2O
Molecular Weight:
414.0213
IUPAC Name:
(2,2-diiodo-1-propan-2-yloxyethenyl)benzene
InChI:
InChI=1S/C11H12I2O/c1-8(2)14-10(11(12)13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
RJLASQAQMFNMBN-UHFFFAOYSA-N
SMILES:
CC(OC(=C(I)I)c1ccccc1)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.898g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.025g/mol
Monoisotopic Mass:
413.898g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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