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78668-57-2 | 2-Hexyne, 6-chloro-1-iodo-
CAS No: 78668-57-2 Catalog No: AG005K08 MDL No:
Product Description
Catalog Number:
AG005K08
Chemical Name:
2-Hexyne, 6-chloro-1-iodo-
CAS Number:
78668-57-2
Molecular Formula:
C6H8ClI
Molecular Weight:
242.4852
IUPAC Name:
6-chloro-1-iodohex-2-yne
InChI:
InChI=1S/C6H8ClI/c7-5-3-1-2-4-6-8/h1,3,5-6H2
InChI Key:
FIFOVMPPXDDIDK-UHFFFAOYSA-N
SMILES:
ClCCCC#CCI
Properties
Complexity:
97.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.936g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.484g/mol
Monoisotopic Mass:
241.936g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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