Home Halogens 2-chloroethynylbenzene

2-chloroethynylbenzene

CAS No.:
1483-82-5
Catalog Number:
AG00AWW4
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00AWW4
Chemical Name:
2-chloroethynylbenzene
CAS Number:
1483-82-5
MDL Number:
MFCD17013535
IUPAC Name:
2-chloroethynylbenzene
InChI:
InChI=1S/C8H5Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H
InChI Key:
GDWZLADUGAKASM-UHFFFAOYSA-N
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.008g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.578g/mol
Monoisotopic Mass:
136.008g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Mechanisms of the thermal cyclotrimerizations of fluoro- and chloroacetylenes: density functional theory investigation and intermediate trapping experiments. Journal of the American Chemical Society 20110720
Properties