530134-26-0
5-BROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_formula
C17 H14 Br N3 O6 S
pro_molWeight
468.283
1Identification
【Name】
5-BROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564146
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H14 Br N3 O6 S
【pro_molWeight】
468.283
【Inchi】
InChI=1S/C17H14BrN3O6S/c1-2-27-14-6-3-9(7-13(14)21(25)26)15(22)20-17(28)19-12-5-4-10(18)8-11(12)16(23)24/h3-8H,2H2,1H3,(H,23,24)(H2,19,20,22,28)
【InChIKey】
InChIKey=JBEPTQUFOXKUOK-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:9
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-BROMO-2-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
quick_release
SuppliersList
AsisChem, Inc.
pro_catalogNo:U75825 nullnull
CountryRegion:US
BusinessType:TradingCompany
http://www.AsisChem.com
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pro_catalogNo:U75825 nullnull
CountryRegion:US
BusinessType:TradingCompany
http://www.AsisChem.com
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