4-(3-chlorophenyl)-3-methylbenzoic acid


Chemical Name: 4-(3-chlorophenyl)-3-methylbenzoic acid
CAS Number: 1261928-83-9
Product Number: AG000S6M(AGN-PC-09O01C)
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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