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766-99-4 | 1-Ethynyl-4-iodobenzene
CAS No: 766-99-4 Catalog No: AG005IJD MDL No:MFCD00185106
Product Description
Catalog Number:
AG005IJD
Chemical Name:
1-Ethynyl-4-iodobenzene
CAS Number:
766-99-4
Molecular Formula:
C8H5I
Molecular Weight:
228.0298
MDL Number:
MFCD00185106
IUPAC Name:
1-ethynyl-4-iodobenzene
InChI:
InChI=1S/C8H5I/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChI Key:
MYGXITKLGQBZBV-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)I
Properties
Complexity:
123
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:
3.7
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