956568-51-7
[[1-(2-CHLOROBENZYL)-4-FORMYL-3-METHYL-1H-PYRAZOL-5-YL]THIO]ACETIC ACID
Name
[[1-(2-CHLOROBENZYL)-4-FORMYL-3-METHYL-1H-PYRAZOL-5-YL]THIO]ACETIC ACID
Formula
C14 H13 Cl N2 O3 S
MolWeight
324.787
1Identification
【Name】
[[1-(2-CHLOROBENZYL)-4-FORMYL-3-METHYL-1H-PYRAZOL-5-YL]THIO]ACETIC ACID
【CAS】
【MDL】
MFCD08444389
【English Synonyms】
【Formula】
C14 H13 Cl N2 O3 S
【MolWeight】
324.787
【Inchi】
InChI=1S/C14H13ClN2O3S/c1-9-11(7-18)14(21-8-13(19)20)17(16-9)6-10-4-2-3-5-12(10)15/h2-5,7H,6,8H2,1H3,(H,19,20)
【InChIKey】
InChIKey=AZFBXTZFBLIYCH-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n(n1)Cc2ccccc2Cl)SCC(=O)O)C=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[[1-(2-CHLOROBENZYL)-4-FORMYL-3-METHYL-1H-PYRAZOL-5-YL]THIO]ACETIC ACID.cml
Quick Release
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Catalog No:3B3-037688 5G
Country/Region:United States
Business Type:Trading Company
http://www.3bsc.com
Enamine
Catalog No:EN300-25496 10G
Catalog No:EN300-25496 25G
Catalog No:EN300-25496 1G
Catalog No:EN300-25496 250MG
Catalog No:EN300-25496 500MG
Catalog No:EN300-25496 50G
Catalog No:EN300-25496 5G
Catalog No:EN300-25496 2.5G
Country/Region:Ukraine
Business Type:Trading Company
http://www.enamine.net
Shanghai FWD Chemicals Limited
Catalog No:H5036
Country/Region:China
Business Type:Trading Company
http://www.fwdchem.com
More 956568-51-7 Suppliers>>