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193091-57-5 | Benzene, [3-(2-iodoethoxy)-1-propynyl]-
CAS No: 193091-57-5 Catalog No: AG007R14 MDL No:
Product Description
Catalog Number:
AG007R14
Chemical Name:
Benzene, [3-(2-iodoethoxy)-1-propynyl]-
CAS Number:
193091-57-5
Molecular Formula:
C11H11IO
Molecular Weight:
286.1089
IUPAC Name:
3-(2-iodoethoxy)prop-1-ynylbenzene
InChI:
InChI=1S/C11H11IO/c12-8-10-13-9-4-7-11-5-2-1-3-6-11/h1-3,5-6H,8-10H2
InChI Key:
SLZVTMUWXOQRDR-UHFFFAOYSA-N
SMILES:
ICCOCC#Cc1ccccc1
Properties
Complexity:
183
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:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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