Butanenitrile, 4-chloro-3-hydroxy-, (3R)-


Chemical Name: Butanenitrile, 4-chloro-3-hydroxy-, (3R)-
CAS Number: 84367-31-7
Product Number: AG003AYR(AGN-PC-0OJ3KU)
Synonyms:
MDL No:
Molecular Formula: C4H6ClNO
Molecular Weight: 119.5495

Identification/Properties


Properties
BP:
110°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.474(lit.)
Computed Properties
Molecular Weight:
119.548g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
119.014g/mol
Monoisotopic Mass:
119.014g/mol
Topological Polar Surface Area:
44A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
84.9
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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