532419-51-5
3,5-DIBROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C17 H13 Br2 N3 O6 S
MolWeight
547.179
1Identification
【Name】
3,5-DIBROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569885
【English Synonyms】
【Formula】
C17 H13 Br2 N3 O6 S
【MolWeight】
547.179
【Inchi】
InChI=1S/C17H13Br2N3O6S/c1-2-28-13-4-3-8(5-12(13)22(26)27)15(23)21-17(29)20-14-10(16(24)25)6-9(18)7-11(14)19/h3-7H,2H2,1H3,(H,24,25)(H2,20,21,23,29)
【InChIKey】
InChIKey=IDHBLOZOXZRVHM-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIBROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U76941 nullnull
Country/Region:United States
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