Home Bromides 676131-65-0
676131-65-0,MFCD02310125
Catalog No.:AA003I0R
676131-65-0 | 3-(4-Bromophenyl)-5-tert-butyl-1,2,4-oxadiazole
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Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$86.00   $60.00
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5g
97%
in stock  
$258.00   $180.00
- +
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Technical Information
Catalog Number:
AA003I0R
Chemical Name:
3-(4-Bromophenyl)-5-tert-butyl-1,2,4-oxadiazole
CAS Number:
676131-65-0
Molecular Formula:
C12H13BrN2O
Molecular Weight:
281.1484
MDL Number:
MFCD02310125
IUPAC Name:
3-(4-bromophenyl)-5-tert-butyl-1,2,4-oxadiazole
InChI:
InChI=1S/C12H13BrN2O/c1-12(2,3)11-14-10(15-16-11)8-4-6-9(13)7-5-8/h4-7H,1-3H3
InChI Key:
QXVWMOMVFJMHJB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1noc(n1)C(C)(C)C
Properties
Computed Properties
 
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.021g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.153g/mol
Monoisotopic Mass:
280.021g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

Synonyms
 
676131-65-0 
3-(4-bromophenyl)-5-tert-butyl-1,2,4-oxadiazole 
KM1121 
MFCD02310125 
STK282378 
AKOS005427003 
MCULE-6221303060 
RTR-022700 
AJ-57226 
CJ-13153 
ST2404757 
TR-022700 
3-(4-Bromophenyl)-5-(tert-butyl)-1,2,4-oxadiazole 
V7243 
I14-24859 
C12H13BrN2O 
ZINC07781502 
CID8895468 
ACMC-1BH1P 
AC1PGC33 
SCHEMBL5648596 
CTK5C6400 
DTXSID90429261 
ZINC7781502 
ANW-35379 
Literature
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