3-(2-chlorophenyl)-3-oxopropanenitrile


Chemical Name: 3-(2-chlorophenyl)-3-oxopropanenitrile
CAS Number: 40018-25-5
Product Number: AG003396(AGN-PC-0KK6EX)
Synonyms:
MDL No: MFCD00051624
Molecular Formula: C9H6ClNO
Molecular Weight: 179.6030

Identification/Properties


Properties
MP:
55-59 °C
BP:
302.2°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Stability:
Moisture Sensitive
Refractive Index:
1.5330 (estimate)
Computed Properties
Molecular Weight:
179.603g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
179.014g/mol
Monoisotopic Mass:
179.014g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
218
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


Request for Quotation


Customer Feedback