532980-61-3
2-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
2-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C18 H14 Br2 N2 O4 S
MolWeight
514.193
1Identification
【Name】
2-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03570705
【English Synonyms】
【Formula】
C18 H14 Br2 N2 O4 S
【MolWeight】
514.193
【Inchi】
InChI=1S/C18H14Br2N2O4S/c1-26-16-10(8-11(19)9-13(16)20)6-7-15(23)22-18(27)21-14-5-3-2-4-12(14)17(24)25/h2-9H,1H3,(H,24,25)(H2,21,22,23,27)/b7-6+
【InChIKey】
InChIKey=JHZNKJNJJOLPJK-VOTSOKGWSA-N
【SMILES】
COc1c(cc(cc1Br)Br)/C=C/C(=O)NC(=S)Nc2ccccc2C(=O)O
【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
2-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U86975 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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