532937-73-8
5-[3-(3-BROMO-4-ETHOXY-BENZOYL)-THIOUREIDO]-2-CHLORO-BENZOIC ACID
Name
5-[3-(3-BROMO-4-ETHOXY-BENZOYL)-THIOUREIDO]-2-CHLORO-BENZOIC ACID
Formula
C17 H14 Br Cl N2 O4 S
MolWeight
457.731
1Identification
【Name】
5-[3-(3-BROMO-4-ETHOXY-BENZOYL)-THIOUREIDO]-2-CHLORO-BENZOIC ACID
【CAS】
【MDL】
MFCD03453800
【English Synonyms】
【Formula】
C17 H14 Br Cl N2 O4 S
【MolWeight】
457.731
【Inchi】
InChI=1S/C17H14BrClN2O4S/c1-2-25-14-6-3-9(7-12(14)18)15(22)21-17(26)20-10-4-5-13(19)11(8-10)16(23)24/h3-8H,2H2,1H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=UDKFHOOXXZRUKG-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1Br)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
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[3-(3-BROMO-4-ETHOXY-BENZOYL)-THIOUREIDO]-2-CHLORO-BENZOIC ACID.cml
Quick Release
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Catalog No:U84136 nullnull
Country/Region:United States
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