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13997-71-2 | Benzene, 1-iodo-4-(2-propen-1-yloxy)-
CAS No: 13997-71-2 Catalog No: AG001BWC MDL No:
Product Description
Catalog Number:
AG001BWC
Chemical Name:
Benzene, 1-iodo-4-(2-propen-1-yloxy)-
CAS Number:
13997-71-2
Molecular Formula:
C9H9IO
Molecular Weight:
260.0716
IUPAC Name:
1-iodo-4-prop-2-enoxybenzene
InChI:
InChI=1S/C9H9IO/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6H,1,7H2
InChI Key:
ZCYLOWOVAYQNAA-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc(cc1)I
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.074g/mol
Monoisotopic Mass:
259.97g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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