Benzoyl chloride, 3-cyano-


Chemical Name: Benzoyl chloride, 3-cyano-
CAS Number: 1711-11-1
Product Number: AG003JC6(AGN-PC-0JOR0F)
Synonyms:
MDL No:
Molecular Formula: C8H4ClNO
Molecular Weight: 165.5765

Identification/Properties


Properties
MP:
42-44℃ (lit.)
BP:
125-129°C at 11 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
165.576g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
164.998g/mol
Monoisotopic Mass:
164.998g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
205
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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