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129180-58-1 | Benzene, 1-[(1,1-dimethyl-2-propyn-1-yl)oxy]-4-iodo-
CAS No: 129180-58-1 Catalog No: AG000YX9 MDL No:
Product Description
Catalog Number:
AG000YX9
Chemical Name:
Benzene, 1-[(1,1-dimethyl-2-propyn-1-yl)oxy]-4-iodo-
CAS Number:
129180-58-1
Molecular Formula:
C11H11IO
Molecular Weight:
286.1089
IUPAC Name:
1-iodo-4-(2-methylbut-3-yn-2-yloxy)benzene
InChI:
InChI=1S/C11H11IO/c1-4-11(2,3)13-10-7-5-9(12)6-8-10/h1,5-8H,2-3H3
InChI Key:
HWARCJVQUDOHMY-UHFFFAOYSA-N
SMILES:
C#CC(Oc1ccc(cc1)I)(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.112g/mol
Monoisotopic Mass:
285.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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