2-chloro-4-(4-cyanophenyl)benzoic acid


Chemical Name: 2-chloro-4-(4-cyanophenyl)benzoic acid
CAS Number: 1261945-47-4
Product Number: AG000S83(AGN-PC-09NZH9)
Synonyms:
MDL No:
Molecular Formula: C14H8ClNO2
Molecular Weight: 257.6718

Identification/Properties


Computed Properties
Molecular Weight:
257.673g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
257.024g/mol
Monoisotopic Mass:
257.024g/mol
Topological Polar Surface Area:
61.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
354
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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