AC1MXKES structure

AC1MXKES

4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Also Known As: KS-00003DV6|4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid|7X-0282|4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid|4-(4-tert-butylbenzenesulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid|4-(4-tert-butylbenzenesulfonyl)-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid|4-(4-tert-butylbenzenesulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylicacid|4-([4-(TERT-BUTYL)PHENYL]SULFONYL)-6-CHLORO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID|4-(4-tert-Butylbenzene-1-sulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid|6-Chloro-4-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid

CAS: 866134-75-0
Molecular Formula C19H20ClNO5S
Molecular Weight 409.07507 g/mol
LogP 3.6784
Topological Polar Surface Area 83.91 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 409.07507
Monoisotopic Mass 409.07507
Heavy Atoms 27
Complexity 980.14984

Chemical Identifiers

CAS Number 866134-75-0
SMILES CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=C2C=C(C=C3)Cl)C(=O)O

Product Overview

AC1MXKES (CAS 866134-75-0), with molecular formula C19H20ClNO5S and molecular weight 409.07507 g/mol. IUPAC: 4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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