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50892-23-4
[4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYLTHIO]ACETIC ACID
Name
[4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYLTHIO]ACETIC ACID
Formula
C14 H14 Cl N3 O2 S
MolWeight
323.803
1Identification
【Name】
[4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYLTHIO]ACETIC ACID
【CAS】
【MDL】
MFCD00191335
【English Synonyms】
【Formula】
C14 H14 Cl N3 O2 S
【MolWeight】
323.803
【Inchi】
InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
【InChIKey】
InChIKey=SZRPDCCEHVWOJX-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
[4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYLTHIO]ACETIC ACID.cml
Quick Release
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