81518-27-6
2-[4-(4-BROMO-PHENYL)-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL]-PHENOL
Name
2-[4-(4-BROMO-PHENYL)-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL]-PHENOL
Formula
C14 H10 Br N3 O S
MolWeight
348.223
1Identification
【Name】
2-[4-(4-BROMO-PHENYL)-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL]-PHENOL
【CAS】
【MDL】
MFCD03956508
【English Synonyms】
【Formula】
C14 H10 Br N3 O S
【MolWeight】
348.223
【Inchi】
InChI=1S/C14H10BrN3OS/c15-9-5-7-10(8-6-9)18-13(16-17-14(18)20)11-3-1-2-4-12(11)19/h1-8,19H,(H,17,20)
【InChIKey】
InChIKey=KUMSNWAQJIDGRP-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)c2nnc(n2c3ccc(cc3)Br)S)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[4-(4-BROMO-PHENYL)-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL]-PHENOL.cml
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Catalog No:DAY00515 nullnull
Country/Region:China
Business Type:Trading Company
http://www.daybiochem.com
Shanghai AOKChem Co., Limited
Catalog No:B03889 nullnull
Country/Region:China
Business Type:Trading Company
http://www.AOKchem.com
Enamine
Catalog No:EN300-04713 10G
Catalog No:EN300-04713 50G
Catalog No:EN300-04713 5G
Catalog No:EN300-04713 25G
Catalog No:EN300-04713 2.5G
Catalog No:EN300-04713 1G
Country/Region:Ukraine
Business Type:Trading Company
http://www.enamine.net
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