532409-06-6
5-CHLORO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-CHLORO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_formula
C16 H12 Cl N3 O6 S
pro_molWeight
409.805
1Identification
【Name】
5-CHLORO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03567887
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H12 Cl N3 O6 S
【pro_molWeight】
409.805
【Inchi】
InChI=1S/C16H12ClN3O6S/c1-26-13-5-2-8(6-12(13)20(24)25)14(21)19-16(27)18-11-4-3-9(17)7-10(11)15(22)23/h2-7H,1H3,(H,22,23)(H2,18,19,21,27)
【InChIKey】
InChIKey=ISXUCDSMWWGTGJ-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:9
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-CHLORO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
quick_release
SuppliersList
AsisChem, Inc.
pro_catalogNo:U81000 nullnull
CountryRegion:US
BusinessType:TradingCompany
http://www.AsisChem.com
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pro_catalogNo:U81000 nullnull
CountryRegion:US
BusinessType:TradingCompany
http://www.AsisChem.com
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