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404900-69-2,MFCD00697977
Catalog No.:AA003I0I
404900-69-2 | 3-(4-Bromophenyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
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$661.00   $463.00
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Technical Information
Catalog Number:
AA003I0I
Chemical Name:
3-(4-Bromophenyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
CAS Number:
404900-69-2
Molecular Formula:
C14H8BrClN2O
Molecular Weight:
335.5831
MDL Number:
MFCD00697977
IUPAC Name:
3-(4-bromophenyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C14H8BrClN2O/c15-10-7-5-9(6-8-10)13-17-14(19-18-13)11-3-1-2-4-12(11)16/h1-8H
InChI Key:
JIRNCACWBADCFA-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1noc(n1)c1ccccc1Cl
Properties
Computed Properties
 
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.951g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.585g/mol
Monoisotopic Mass:
333.951g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

Synonyms
 
3-(4-bromophenyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole 
404900-69-2 
AKOS003361431 
MCULE-5378388310 
RTR-016170 
NCGC00326401-01 
AJ-20015 
CJ-03014 
AX8231070 
ST2404753 
TR-016170 
V5790 
ACMC-1AQGF 
B-3570 
AB01321345-02 
AG-690/11629204 
I14-24863 
C14H8BrClN2O 
JIRNCACWBADCFA-UHFFFAOYSA-N 
CID825584 
ZINC00344973 
AC1LGR7R 
CTK4I3169 
DTXSID90356523 
ZINC344973 
ANW-29416 
MFCD00697977 
STK031622 
Literature
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