Home Bromides 694521-68-1
694521-68-1,MFCD03717936
Catalog No.:AA003I0N
694521-68-1 | 3-(4-Bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
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Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$86.00   $60.00
- +
5g
98%
in stock  
$258.00   $180.00
- +
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Technical Information
Catalog Number:
AA003I0N
Chemical Name:
3-(4-Bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CAS Number:
694521-68-1
Molecular Formula:
C14H8BrFN2O
Molecular Weight:
319.1285
MDL Number:
MFCD03717936
IUPAC Name:
3-(4-bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C14H8BrFN2O/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H
InChI Key:
FOIRBPRSTFCJHD-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1onc(n1)c1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.98g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.133g/mol
Monoisotopic Mass:
317.98g/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
 
3-(4-bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole 
694521-68-1 
MFCD03717936 
STK114595 
AKOS003360974 
MCULE-5668313796 
RTR-023110 
AJ-23030 
AN-27429 
CJ-04274 
DB-074173 
TR-023110 
AC1LHHMI 
FT-0749470 
ST24022560 
V7346 
521B681 
C14H8BrFN2O 
CID887487 
ZINC00460967 
3- -5- -1,2,4-OXADIAZOLE 
ACMC-1BIRJ 
Cambridge id 7325436 
CTK5C9924 
DTXSID50358326 
ZINC460967 
ANW-35684 
KM1270 
Literature
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