2-[3-(4-chlorobenzoyl)-2-methylphenoxy]acetic acid
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![2-[3-(4-chlorobenzoyl)-2-methylphenoxy]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2a218e6513cf4d93acde340c7f9017bd.png "2-[3-(4-chlorobenzoyl)-2-methylphenoxy]acetic acid")
2-[3-(4-chlorobenzoyl)-2-methylphenoxy]acetic acid
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CAS No:
76981-45-8
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Formula:
C16H13ClO4
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Chemical Name:
2-[3-(4-chlorobenzoyl)-2-methylphenoxy]acetic acid
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Synonyms:
76981-45-8;BRN 5576379;2-(3-(p-Chlorobenzoyl)-o-tolyloxy)acetic acid;ACETIC ACID, 2-(3-(p-CHLOROBENZOYL)-o-TOLYLOXY)-;DTXSID20998258;[3-(4-Chlorobenzoyl)-2-methylphenoxy]acetic acid;2-[3-(p-Chlorobenzoyl)-2-methylphenoxy]acetic acid
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CAS No:
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Oral | Rodent - mouse | 750 mg/kg | Details of toxic effects not reported other than lethal dose value-- | European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 15,457,1980 |
Computed Properties
Molecular Weight:304.72
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:304.0502366
Monoisotopic Mass:304.0502366
Topological Polar Surface Area:63.6
Heavy Atom Count:21
Complexity:377
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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