4-(Methylsulfonyl)-2-nitrobenzoic acid

CAS Registry Number®

110964-79-9

CAS Name

4-(Methylsulfonyl)-2-nitrobenzoic acid

Molecular Formula

C8H7NO6S

Molecular Mass

245.21

Cite this Page

4-(Methylsulfonyl)-2-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110964-79-9 (retrieved 2024-11-21) (CAS RN: 110964-79-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212-213 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)

InChIKey

InChIKey=QNOUABMNRMROSL-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(C(O)=O)C=CC(S(C)(=O)=O)=C1

Canonical SMILES

O=C(O)C1=CC=C(C=C1N(=O)=O)S(=O)(=O)C

Other Names for this Substance

  • Benzoic acid, 4-(methylsulfonyl)-2-nitro-
  • 4-(Methylsulfonyl)-2-nitrobenzoic acid
  • 2-Nitro-4-(methylsulfonyl)benzoic acid
  • 2-Nitro-p-methylsulfonyl benzoic acid
  • 4-Mesyl-2-nitrobenzoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration