Home Bromides 587006-12-0
587006-12-0,MFCD03723862
Catalog No.:AA003I0Q
587006-12-0 | 3-(4-Bromophenyl)-5-p-tolyl-1,2,4-oxadiazole
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1g
98%
in stock  
$86.00   $60.00
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5g
98%
in stock  
$258.00   $180.00
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Technical Information
Catalog Number:
AA003I0Q
Chemical Name:
3-(4-Bromophenyl)-5-p-tolyl-1,2,4-oxadiazole
CAS Number:
587006-12-0
Molecular Formula:
C15H11BrN2O
Molecular Weight:
315.1646
MDL Number:
MFCD03723862
IUPAC Name:
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C15H11BrN2O/c1-10-2-4-12(5-3-10)15-17-14(18-19-15)11-6-8-13(16)9-7-11/h2-9H,1H3
InChI Key:
AGCMNVXEQKFLBR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.005g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.17g/mol
Monoisotopic Mass:
314.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

Synonyms
 
587006-12-0 
3-(4-Bromophenyl)-5-(p-tolyl)-1,2,4-oxadiazole 
KM0228 
MFCD03723862 
STK337216 
AKOS001060297 
MCULE-4377319494 
RTR-020387 
AJ-17876 
AX8231095 
TR-020387 
EU-0016016 
3-(4-Bromophenyl)-5-p-tolyl-1,2,4-oxadiazole 
ST24022562 
V6781 
I14-24867 
Z56910708 
C15H11BrN2O 
CID752268 
ZINC00203209 
3- -5-P-TOLYL-1,2,4-OXADIAZOLE 
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole 
ACMC-209m6k 
AC1LFE52 
CTK8B1965 
DTXSID50353770 
ZINC203209 
ANW-33018 
Literature
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