5-(Methylsulfonyl)-6-nitro-2(3H)-benzoxazolone

CAS Registry Number®

31770-95-3
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CAS Name

5-(Methylsulfonyl)-6-nitro-2(3H)-benzoxazolone

Molecular Formula

C8H6N2O6S

Molecular Mass

258.21

Cite this Page

5-(Methylsulfonyl)-6-nitro-2(3H)-benzoxazolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=31770-95-3 (retrieved 2024-04-29) (CAS RN: 31770-95-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    264 °C (decomp)

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O6S/c1-17(14,15)7-2-4-6(16-8(11)9-4)3-5(7)10(12)13/h2-3H,1H3,(H,9,11)

InChIKey

InChIKey=MVPPGNRJNZBDAK-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=C2C(=CC1S(C)(=O)=O)NC(=O)O2

Canonical SMILES

O=C1OC=2C=C(C(=CC2N1)S(=O)(=O)C)N(=O)=O

Other Names for this Substance

  • 2(3H)-Benzoxazolone, 5-(methylsulfonyl)-6-nitro-
  • 2-Benzoxazolinone, 5-(methylsulfonyl)-6-nitro-
  • 5-(Methylsulfonyl)-6-nitro-2(3H)-benzoxazolone

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