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Substance Name: Acetic acid, (2-(((aminoiminomethyl)thio)methyl)-4-bromophenoxy)-, methyl ester, monohydrochloride
RN: 16158-45-5
InChIKey: GRTPVNFCNQYWQF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C11-H13-Br-N2-O3-S.Cl-H

Molecular Weight

  • 369.666
 
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Names and Synonyms

Synonyms

  • (2-(((Aminoiminomethyl)thio)methyl)-4-bromophenoxy)acetic acid methyl ester monohydrochloride
  • Acetic acid, ((alpha-(amidinothio)-4-bromo-o-tolyl)oxy)-, methyl ester, monohydrochloride

Systematic Name

  • Acetic acid, (2-(((aminoiminomethyl)thio)methyl)-4-bromophenoxy)-, methyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 16158-45-5

System Generated Number

  • 0016158455

Molecular Formulas

Molecular Formula

  • C11-H13-Br-N2-O3-S.Cl-H

Molecular Formula Fragments

  • C11-H13-Br-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H13BrN2O3S.ClH/c1-16-10(15)5-17-9-3-2-8(12)4-7(9)6-18-11(13)14;/h2-4H,5-6H2,1H3,(H3,13,14);1H

InChIKey

GRTPVNFCNQYWQF-UHFFFAOYSA-N

Smiles

c1(c(cc(Br)cc1)CSC(=N)[NH2+])OCC(OC)=O.[ClH-]