2-(4-Chloro-3-methoxyphenyl)acetonitrile


Chemical Name: 2-(4-Chloro-3-methoxyphenyl)acetonitrile
CAS Number: 13726-21-1
Product Number: AG00130M(AGN-PC-0WAMV1)
Synonyms:
MDL No: MFCD09907926
Molecular Formula: C9H8ClNO
Molecular Weight: 181.6189

Identification/Properties


Computed Properties
Molecular Weight:
181.619g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
181.029g/mol
Monoisotopic Mass:
181.029g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
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


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