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1146699-64-0

1146699-64-0 | 3-(4-(Bromomethyl);-3-fluorophenyl);-1,2,4-oxadiazole

CAS No: 1146699-64-0 Catalog No: AG000EZY MDL No:MFCD13181201

Product Description

Catalog Number:
AG000EZY
Chemical Name:
3-(4-(Bromomethyl);-3-fluorophenyl);-1,2,4-oxadiazole
CAS Number:
1146699-64-0
Molecular Formula:
C9H6BrFN2O
Molecular Weight:
257.0591
MDL Number:
MFCD13181201
IUPAC Name:
3-[4-(bromomethyl)-3-fluorophenyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C9H6BrFN2O/c10-4-7-2-1-6(3-8(7)11)9-12-5-14-13-9/h1-3,5H,4H2
InChI Key:
ZBKXTEJUTGXVJL-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1F)c1nocn1

Properties

Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.965g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.062g/mol
Monoisotopic Mass:
255.965g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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