Home Bromides 313536-71-9
313536-71-9,MFCD00635531
Catalog No.:AA003I0T
313536-71-9 | 3-(4-Bromophenyl)-5-butyl-1,2,4-oxadiazole
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$86.00   $60.00
- +
5g
98%
in stock  
$258.00   $180.00
- +
25g
98%
in stock  
$762.00   $534.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003I0T
Chemical Name:
3-(4-Bromophenyl)-5-butyl-1,2,4-oxadiazole
CAS Number:
313536-71-9
Molecular Formula:
C12H13BrN2O
Molecular Weight:
281.1484
MDL Number:
MFCD00635531
IUPAC Name:
3-(4-bromophenyl)-5-butyl-1,2,4-oxadiazole
InChI:
InChI=1S/C12H13BrN2O/c1-2-3-4-11-14-12(15-16-11)9-5-7-10(13)8-6-9/h5-8H,2-4H2,1H3
InChI Key:
FIZMKFPRRLZZCI-UHFFFAOYSA-N
SMILES:
CCCCc1onc(n1)c1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
207  
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:
4  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

Synonyms
 
3-(4-bromophenyl)-5-butyl-1,2,4-oxadiazole 
313536-71-9 
ANW-27085 
MFCD00635531 
STK044154 
AKOS000618828 
MCULE-2281990650 
RTR-013330 
AJ-32898 
CJ-07472 
ST2404759 
TR-013330 
BAS 00333447 
EU-0033637 
ST50001323 
V5090 
K-7423 
3-(4-Bromo-phenyl)-5-butyl-[1,2,4]oxadiazole 
SR-01000390942 
SR-01000390942-1 
I14-24874 
C12H13BrN2O 
CID3100637 
AC1MIRY7 
3- -5-BUTYL-1,2,4-OXADIAZOLE 
ACMC-1AGL1 
ChemDiv2_003341 
CTK4G6924 
DTXSID00389221 
HMS1378H19 
ZINC2030746 
Literature
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