530148-99-3
3,5-DIBROMO-2-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C18 H12 Br4 N2 O4 S
MolWeight
671.985
1Identification
【Name】
3,5-DIBROMO-2-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564899
【English Synonyms】
【Formula】
C18 H12 Br4 N2 O4 S
【MolWeight】
671.985
【Inchi】
InChI=1S/C18H12Br4N2O4S/c1-28-16-8(4-9(19)7-13(16)22)2-3-14(25)23-18(29)24-15-11(17(26)27)5-10(20)6-12(15)21/h2-7H,1H3,(H,26,27)(H2,23,24,25,29)/b3-2+
【InChIKey】
InChIKey=XUVGFQMJJXKSFX-NSCUHMNNSA-N
【SMILES】
COc1c(cc(cc1Br)Br)/C=C/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:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIBROMO-2-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
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Catalog No:U87374 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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