Molecular Weight:274.69904 [g/mol]
Molecular Formula:C15H11ClO3
XLogP3:3
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:274.039672
MonoIsotopic Mass:274.039672
Topological Polar Surface Area:54.4
Heavy Atom Count:19
Formal Charge:0
Complexity:334
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
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:78
Safety and Handling
【Specification】
2-((4-Chlorophenyl)acetyl)benzoic acid , its cas register number is 53242-76-5. It also can be called 2-[2-(4-Chlorophenyl)acetyl]benzoic acid .