Pentanenitrile, 5-chloro-


Chemical Name: Pentanenitrile, 5-chloro-
CAS Number: 6280-87-1
Product Number: AG003MP5(AGN-PC-0JLSO7)
Synonyms:
MDL No:
Molecular Formula: C5H8ClN
Molecular Weight: 117.5767

Identification/Properties


Properties
BP:
100 °C at 17 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.446(lit.)
Computed Properties
Molecular Weight:
117.576g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
117.035g/mol
Monoisotopic Mass:
117.035g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
71.4
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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