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  • Benzoic acid,2-[2-(4-chlorophenyl)acetyl]
Name:Benzoic acid,2-[2-(4-chlorophenyl)acetyl]
CAS No:53242-76-5

PRODUCT DESCRIPTION

【Name】
Benzoic acid,2-[2-(4-chlorophenyl)acetyl]-
【Iupac name】
2-[2-(4-chlorophenyl)acetyl]benzoic acid
【CAS Registry number】
53242-76-5
【Synonyms】
Benzoicacid, 2-[(4-chlorophenyl)acetyl]- (9CI)
【EINECS(EC#)】
258-444-8
【Molecular Formula】
C15H11ClO3 (Products with the same molecular formula)
【Molecular Weight】
274.7
【Inchi】
InChI=1/C15H11ClO3/c16-11-7-5-10(6-8-11)9-14(17)12-3-1-2-4-13(12)15(18)19/h1-8H,9H2,(H,18,19)
【Canonical SMILES】
C1=CC=C(C(=C1)C(=O)CC2=CC=C(C=C2)Cl)C(=O)O
【MOL File】
53242-76-5.mol

Chemical and Physical Properties

【Appearance】
off-white crystalline powder
【Density】
1.332 g/cm3
【Boiling Point】
456.8 ºC at 760 mmHg
【Refractive Index】
1.621
【Flash Point】
230.1 ºC
【Computed Properties】
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 .

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