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932-88-7 | (iodoethynyl)benzene
CAS No: 932-88-7 Catalog No: AG006H7I MDL No:
Product Description
Catalog Number:
AG006H7I
Chemical Name:
(iodoethynyl)benzene
CAS Number:
932-88-7
Molecular Formula:
C8H5I
Molecular Weight:
228.0298
IUPAC Name:
2-iodoethynylbenzene
InChI:
InChI=1S/C8H5I/c9-7-6-8-4-2-1-3-5-8/h1-5H
InChI Key:
VOHWEKIUKSUIDT-UHFFFAOYSA-N
SMILES:
IC#Cc1ccccc1
NSC Number:
221299
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.944g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.032g/mol
Monoisotopic Mass:
227.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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