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Home > Bromides > 126728-58-3

126728-58-3

126728-58-3 | Pyridine, 5-bromo-2-(2,2,2-trifluoroethoxy)-

CAS No: 126728-58-3 Catalog No: AG000T5P MDL No:MFCD07374892

Product Description

Catalog Number:
AG000T5P
Chemical Name:
Pyridine, 5-bromo-2-(2,2,2-trifluoroethoxy)-
CAS Number:
126728-58-3
Molecular Formula:
C7H5BrF3NO
Molecular Weight:
256.0199
MDL Number:
MFCD07374892
IUPAC Name:
5-bromo-2-(2,2,2-trifluoroethoxy)pyridine
InChI:
InChI=1S/C7H5BrF3NO/c8-5-1-2-6(12-3-5)13-4-7(9,10)11/h1-3H,4H2
InChI Key:
JSYQQBQGDIUUFS-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)OCC(F)(F)F

Properties

Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.951g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.022g/mol
Monoisotopic Mass:
254.951g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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