2-(4-[(4-BROMOPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL)ACETIC ACID
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![2-(4-[(4-BROMOPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL)ACETIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f05a41df548644a2a167702f3273749b.png "2-(4-[(4-BROMOPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL)ACETIC ACID")
2-(4-[(4-BROMOPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL)ACETIC ACID
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CAS No:
865657-67-6
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Formula:
C16H14BrNO5S
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Chemical Name:
2-(4-[(4-BROMOPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL)ACETIC ACID
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Synonyms:
2-{4-[(4-bromophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetic acid;2-[4-(4-bromobenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid;MLS001165993;CHEMBL1594068;HMS2860N10;KS-000036QE;AKOS005089446;MCULE-1115437138;SMR000550268;3T-0316
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CAS No:
2-(4-[(4-BROMOPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL)ACETIC ACID Basic Attributes
412.26
410.978
Computed Properties
Molecular Weight:412.3
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:410.97761
Monoisotopic Mass:410.97761
Topological Polar Surface Area:92.3
Heavy Atom Count:24
Complexity:555
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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