535978-14-4
5-BROMO-2-[[[[(5-BROMO-1-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[[[(5-BROMO-1-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C19 H12 Br2 N2 O3 S
MolWeight
508.189
1Identification
【Name】
5-BROMO-2-[[[[(5-BROMO-1-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573126
【English Synonyms】
【Formula】
C19 H12 Br2 N2 O3 S
【MolWeight】
508.189
【Inchi】
InChI=1S/C19H12Br2N2O3S/c20-10-7-8-16(14(9-10)18(25)26)22-19(27)23-17(24)13-5-1-4-12-11(13)3-2-6-15(12)21/h1-9H,(H,25,26)(H2,22,23,24,27)
【InChIKey】
InChIKey=XJKWUHBHSINLKX-UHFFFAOYSA-N
【SMILES】
c1cc2c(cccc2Br)c(c1)C(=O)NC(=S)Nc3ccc(cc3C(=O)O)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMO-2-[[[[(5-BROMO-1-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U84726 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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