530154-08-6
2-CHLORO-5-[3-(3-METHYL-BUTYRYL)-THIOUREIDO]-BENZOIC ACID
Name
2-CHLORO-5-[3-(3-METHYL-BUTYRYL)-THIOUREIDO]-BENZOIC ACID
Formula
C13 H15 Cl N2 O3 S
MolWeight
314.792
1Identification
【Name】
2-CHLORO-5-[3-(3-METHYL-BUTYRYL)-THIOUREIDO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03453804
【English Synonyms】
【Formula】
C13 H15 Cl N2 O3 S
【MolWeight】
314.792
【Inchi】
InChI=1S/C13H15ClN2O3S/c1-7(2)5-11(17)16-13(20)15-8-3-4-10(14)9(6-8)12(18)19/h3-4,6-7H,5H2,1-2H3,(H,18,19)(H2,15,16,17,20)
【InChIKey】
InChIKey=IAZFCLJLGSILNX-UHFFFAOYSA-N
【SMILES】
CC(C)CC(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-5-[3-(3-METHYL-BUTYRYL)-THIOUREIDO]-BENZOIC ACID.cml
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AsisChem, Inc.
Catalog No:U89776 nullnull
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Catalog No:U89776 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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