531532-36-2
2-CHLORO-5-[3-(3-ETHOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Name
2-CHLORO-5-[3-(3-ETHOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Formula
C17 H15 Cl N2 O4 S
MolWeight
378.835
1Identification
【Name】
2-CHLORO-5-[3-(3-ETHOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03566158
【English Synonyms】
【Formula】
C17 H15 Cl N2 O4 S
【MolWeight】
378.835
【Inchi】
InChI=1S/C17H15ClN2O4S/c1-2-24-12-5-3-4-10(8-12)15(21)20-17(25)19-11-6-7-14(18)13(9-11)16(22)23/h3-9H,2H2,1H3,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=YHPXOLBPHGMHLC-UHFFFAOYSA-N
【SMILES】
CCOc1cccc(c1)C(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl
【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
2-CHLORO-5-[3-(3-ETHOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U85977 nullnull
Country/Region:United States
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