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999-79-1 | 2-Pentyne, 4-chloro-4-methyl-
CAS No: 999-79-1 Catalog No: AG003VIA MDL No:
Product Description
Catalog Number:
AG003VIA
Chemical Name:
2-Pentyne, 4-chloro-4-methyl-
CAS Number:
999-79-1
Molecular Formula:
C6H9Cl
Molecular Weight:
116.5887
IUPAC Name:
4-chloro-4-methylpent-2-yne
InChI:
InChI=1S/C6H9Cl/c1-4-5-6(2,3)7/h1-3H3
InChI Key:
NSISWGKYJIDLAQ-UHFFFAOYSA-N
SMILES:
CC#CC(Cl)(C)C
NSC Number:
525131
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.039g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.588g/mol
Monoisotopic Mass:
116.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| The influence of carbon-carbon multiple bonds on the solvolyses of tertiary alkyl halides: A Grunwald-Winstein analysis. | International journal of molecular sciences 20080901 |
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