2-chloro-4-(3-methylphenyl)benzoic acid


Chemical Name: 2-chloro-4-(3-methylphenyl)benzoic acid
CAS Number: 1237103-23-9
Product Number: AG000KZE(AGN-PC-09Q4KI)
Synonyms:
MDL No:
Molecular Formula: C14H11ClO2
Molecular Weight: 246.6889

Identification/Properties


Computed Properties
Molecular Weight:
246.69g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
246.045g/mol
Monoisotopic Mass:
246.045g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
279
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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Chemical Structure



3-Chloro-3'-methyl-[1,1'-biphenyl]-4-carboxylic acid is a versatile compound widely used in chemical synthesis processes. Its unique structure and reactivity make it a valuable tool in organic chemistry. One of the key applications of this compound is in the synthesis of complex organic molecules through cross-coupling reactions. By serving as a building block or intermediate in these reactions, 3-Chloro-3'-methyl-[1,1'-biphenyl]-4-carboxylic acid enables the construction of various functionalized biphenyl derivatives and related compounds with tailored properties. Additionally, this compound can also be utilized as a precursor in the preparation of pharmaceutical intermediates, agrochemicals, and other fine chemicals, highlighting its significance in the field of chemical synthesis.