6-(CARBOXYMETHYL)-4-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID
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![6-(CARBOXYMETHYL)-4-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/eb1e366035774a42a866f946cb1537d2.png "6-(CARBOXYMETHYL)-4-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID")
6-(CARBOXYMETHYL)-4-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID
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CAS No:
866134-99-8
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Formula:
C18H14F3NO7S
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Chemical Name:
6-(CARBOXYMETHYL)-4-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID
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Synonyms:
6-(carboxymethyl)-4-{[3-(trifluoromethyl)phenyl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid;6-(carboxymethyl)-4-[3-(trifluoromethyl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid;MLS000549344;CHEMBL1313790;KS-00003DVM;HMS2388G19;AKOS005099926;MCULE-1474556378;SMR000168927;7X-0353
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CAS No:
6-(CARBOXYMETHYL)-4-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID Basic Attributes
445.37
445.044
Computed Properties
Molecular Weight:445.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:445.04430745
Monoisotopic Mass:445.04430745
Topological Polar Surface Area:130
Heavy Atom Count:30
Complexity:767
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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