530148-88-0
4-CHLORO-3-[3-(4-ISOPROPOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Name
4-CHLORO-3-[3-(4-ISOPROPOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Formula
C18 H17 Cl N2 O4 S
MolWeight
392.861
1Identification
【Name】
4-CHLORO-3-[3-(4-ISOPROPOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564889
【English Synonyms】
【Formula】
C18 H17 Cl N2 O4 S
【MolWeight】
392.861
【Inchi】
InChI=1S/C18H17ClN2O4S/c1-10(2)25-13-6-3-11(4-7-13)16(22)21-18(26)20-15-9-12(17(23)24)5-8-14(15)19/h3-10H,1-2H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=QYFPPDLLUJHVAC-UHFFFAOYSA-N
【SMILES】
CC(C)Oc1ccc(cc1)C(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-3-[3-(4-ISOPROPOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID.cml
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AsisChem, Inc.
Catalog No:U80938 nullnull
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Catalog No:U80938 nullnull
Country/Region:United States
Business Type:Trading Company
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