2-chloro-5-(4-hydroxy-3-methoxyphenyl)benzonitrile


Chemical Name: 2-chloro-5-(4-hydroxy-3-methoxyphenyl)benzonitrile
CAS Number: 1261901-36-3
Product Number: AG000S4G(AGN-PC-09Q28J)
Synonyms:
MDL No:
Molecular Formula: C14H10ClNO2
Molecular Weight: 259.6877

Identification/Properties


Computed Properties
Molecular Weight:
259.689g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
259.04g/mol
Monoisotopic Mass:
259.04g/mol
Topological Polar Surface Area:
53.2A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
327
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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