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Substance Name: Benzoic acid, 2-((aminosulfonyl)methyl)-, methyl ester
RN: 112941-26-1
InChIKey: DBOUFTHAEAVMJC-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C9-H11-N-O4-S

Molecular Weight

  • 229.2549
 
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Names and Synonyms

Synonym

  • EC 419-010-5

Systematic Names

  • Benzoic acid, 2-((aminosulfonyl)methyl)-, methyl ester
  • Methyl 2-((aminosulfonyl)methyl)benzoate

Registry Numbers

CAS Registry Number

  • 112941-26-1

System Generated Number

  • 0112941261

Structure Descriptors

InChI

1S/C9H11NO4S/c1-14-9(11)8-5-3-2-4-7(8)6-15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13)

InChIKey

DBOUFTHAEAVMJC-UHFFFAOYSA-N

Smiles

COC(=O)c1ccccc1CS(=O)(=O)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.37 (none)   EXP

Physical property data is provided to ChemIDplus by SRC, Inc.