Benzeneacetonitrile, 3,4-dichloro-


Chemical Name: Benzeneacetonitrile, 3,4-dichloro-
CAS Number: 3218-49-3
Product Number: AG003IGG(AGN-PC-0JLQ78)
Synonyms:
MDL No:
Molecular Formula: C8H5Cl2N
Molecular Weight: 186.0380

Identification/Properties


Properties
MP:
39-42 °C(lit.)
BP:
308.6 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5690 (estimate)
Computed Properties
Molecular Weight:
186.035g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
184.98g/mol
Monoisotopic Mass:
184.98g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
172
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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