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698389-67-2 | Benzene, 1-[(1E)-2,4-diiodo-1-methyl-1-butenyl]-4-ethoxy-
CAS No: 698389-67-2 Catalog No: AG005TEQ MDL No:
Product Description
Catalog Number:
AG005TEQ
Chemical Name:
Benzene, 1-[(1E)-2,4-diiodo-1-methyl-1-butenyl]-4-ethoxy-
CAS Number:
698389-67-2
Molecular Formula:
C13H16I2O
Molecular Weight:
442.0745
IUPAC Name:
1-(3,5-diiodopent-2-en-2-yl)-4-ethoxybenzene
InChI:
InChI=1S/C13H16I2O/c1-3-16-12-6-4-11(5-7-12)10(2)13(15)8-9-14/h4-7H,3,8-9H2,1-2H3
InChI Key:
RCTPWHRKGNKAML-UHFFFAOYSA-N
SMILES:
ICC/C(=C(\c1ccc(cc1)OCC)/C)/I
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.929g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.079g/mol
Monoisotopic Mass:
441.929g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6
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