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70648-81-6
2-([2-(3,4-DICHLOROANILINO)-2-OXOETHYL]SULFANYL)ACETIC ACID
Name
2-([2-(3,4-DICHLOROANILINO)-2-OXOETHYL]SULFANYL)ACETIC ACID
Formula
C10 H9 Cl2 N O3 S
MolWeight
294.157
1Identification
【Name】
2-([2-(3,4-DICHLOROANILINO)-2-OXOETHYL]SULFANYL)ACETIC ACID
【CAS】
【MDL】
MFCD00202283
【English Synonyms】
【Formula】
C10 H9 Cl2 N O3 S
【MolWeight】
294.157
【Inchi】
InChI=1S/C10H9Cl2NO3S/c11-7-2-1-6(3-8(7)12)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
【InChIKey】
InChIKey=SJOZNQARCZFTGS-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1NC(=O)CSCC(=O)O)Cl)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-([2-(3,4-DICHLOROANILINO)-2-OXOETHYL]SULFANYL)ACETIC ACID.cml
Quick Release
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