5-(Methylsulfonyl)-2(3H)-benzoxazolone

CAS Registry Number®

13920-98-4
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CAS Name

5-(Methylsulfonyl)-2(3H)-benzoxazolone

Molecular Formula

C8H7NO4S

Molecular Mass

213.21

Cite this Page

5-(Methylsulfonyl)-2(3H)-benzoxazolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13920-98-4 (retrieved 2024-08-18) (CAS RN: 13920-98-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    223-224 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7NO4S/c1-14(11,12)5-2-3-7-6(4-5)9-8(10)13-7/h2-4H,1H3,(H,9,10)

InChIKey

InChIKey=QUKRTJQSGPLQKQ-UHFFFAOYSA-N

SMILES

S(C)(=O)(=O)C=1C=C2C(=CC1)OC(=O)N2

Canonical SMILES

O=C1OC2=CC=C(C=C2N1)S(=O)(=O)C

Other Names for this Substance

  • 2(3H)-Benzoxazolone, 5-(methylsulfonyl)-
  • 2-Benzoxazolinone, 5-(methylsulfonyl)-
  • 5-(Methylsulfonyl)-2(3H)-benzoxazolone

Deleted or Replaced CAS Registry Numbers

1194802-36-2