530146-22-6
5-BROMO-2-[[[(4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[[(4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C17 H15 Br N2 O4 S
MolWeight
423.285
1Identification
【Name】
5-BROMO-2-[[[(4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564664
【English Synonyms】
【Formula】
C17 H15 Br N2 O4 S
【MolWeight】
423.285
【Inchi】
InChI=1S/C17H15BrN2O4S/c1-2-24-12-6-3-10(4-7-12)15(21)20-17(25)19-14-8-5-11(18)9-13(14)16(22)23/h3-9H,2H2,1H3,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=KKOHQNBNLKMIBV-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br
【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
5-BROMO-2-[[[(4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U77052 nullnull
Country/Region:United States
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