532982-10-8
3,5-DIBROMO-2-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIBROMO-2-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C20 H14 Br2 N2 O4 S
MolWeight
538.215
1Identification
【Name】
3,5-DIBROMO-2-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03570833
【English Synonyms】
【Formula】
C20 H14 Br2 N2 O4 S
【MolWeight】
538.215
【Inchi】
InChI=1S/C20H14Br2N2O4S/c1-28-16-7-11-5-3-2-4-10(11)6-13(16)18(25)24-20(29)23-17-14(19(26)27)8-12(21)9-15(17)22/h2-9H,1H3,(H,26,27)(H2,23,24,25,29)
【InChIKey】
InChIKey=PAKOFCBRDOASNT-UHFFFAOYSA-N
【SMILES】
COc1cc2ccccc2cc1C(=O)NC(=S)Nc3c(cc(cc3Br)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-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U88521 nullnull
Country/Region:United States
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