Benzonitrile, 2-chloro-4-methoxy-


Chemical Name: Benzonitrile, 2-chloro-4-methoxy-
CAS Number: 127666-99-3
Product Number: AG000X9F(AGN-PC-0027IK)
Synonyms:
MDL No: MFCD00156133
Molecular Formula: C8H6ClNO
Molecular Weight: 167.5923

Identification/Properties


Computed Properties
Molecular Weight:
167.592g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
167.014g/mol
Monoisotopic Mass:
167.014g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
174
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

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NMR Spectrum


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