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AA00252

1000339-28-5 | 3-(2-Bromophenyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole

Packsize Purity Availability Price Discounted Price    Quantity
1g 98% In Stock US $86.00 $60.00 -   +
5g 98% In Stock US $258.00 $180.00 -   +
25g 98% In Stock US $971.00 $680.00 -   +

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Description
Catalog Number: AA00252
Chemical Name: 3-(2-Bromophenyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
CAS Number: 1000339-28-5
Molecular Formula: C14H8BrClN2O
Molecular Weight: 335.5831
MDL Number: MFCD02217449
IUPAC Name: 3-(2-bromophenyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
InChl: InChI=1S/C14H8BrClN2O/c15-11-7-3-1-5-9(11)13-17-14(19-18-13)10-6-2-4-8-12(10)16/h1-8H
InChl Key: QXTCOSGKUMUJDY-UHFFFAOYSA-N
SMILES: Clc1ccccc1c1onc(n1)c1ccccc1Br

 

Computed Properties
Complexity: 307  
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  

 

 

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