2-[[(2,6-Dimethylphenyl)amino]carbonyl]benzoic acid
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![2-[[(2,6-Dimethylphenyl)amino]carbonyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5573ddfa163648b9a3e0f1af22095619.png "2-[[(2,6-Dimethylphenyl)amino]carbonyl]benzoic acid")
2-[[(2,6-Dimethylphenyl)amino]carbonyl]benzoic acid
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CAS No:
19368-18-4
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Formula:
C16H15NO3
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Chemical Name:
2-[[(2,6-Dimethylphenyl)amino]carbonyl]benzoic acid
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Synonyms:
Benzoic acid,2-[[(2,6-dimethylphenyl)amino]carbonyl]-;Phthalanilic acid,2′,6′-dimethyl-;2-[[(2,6-Dimethylphenyl)amino]carbonyl]benzoic acid;Ftaxilide;NSC 16112;2-[(2,6-Dimethylphenyl)carbamoyl]benzoic acid
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CAS No:
2-[[(2,6-Dimethylphenyl)amino]carbonyl]benzoic acid Basic Attributes
269.29 g/mol
269.30
7Z71845H3F
758893|16112
DTXSID5046300
Characteristics
66.4 Ų
188-189 °C @ Solvent: Ethanol
159.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:269.29
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:269.10519334
Monoisotopic Mass:269.10519334
Topological Polar Surface Area:66.4
Heavy Atom Count:20
Complexity:359
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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