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Substance Name: Benzoic acid, 3-isothiocyanato-
RN: 2131-63-7
InChIKey: PJRBPKOOGLKPFB-UHFFFAOYSA-N

Molecular Formula

  • C8-H5-N-O2-S

Molecular Weight

  • 179.199
 
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Names and Synonyms

Synonym

  • 3-Isothiocyanatobenzoic acid

Systematic Name

  • Benzoic acid, 3-isothiocyanato-

Registry Numbers

CAS Registry Number

  • 2131-63-7

System Generated Number

  • 0002131637

Structure Descriptors

InChI

1S/C8H5NO2S/c10-8(11)6-2-1-3-7(4-6)9-5-12/h1-4H,(H,10,11)

InChIKey

PJRBPKOOGLKPFB-UHFFFAOYSA-N

Smiles

c1ccc(N=C=S)cc1C(=O)O