Home Halogens 2-bromo-1-[2-(trifluoromethyl)pyridin-4-yl]ethan-1-one hydrobromide

2-bromo-1-[2-(trifluoromethyl)pyridin-4-yl]ethan-1-one hydrobromide

CAS No.:
1803562-53-9
Catalog Number:
AG01BBE9
Molecular Formula:
C8H6Br2F3NO
Molecular Weight:
348.9425
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Product Description
Catalog Number:
AG01BBE9
Chemical Name:
2-bromo-1-[2-(trifluoromethyl)pyridin-4-yl]ethan-1-one hydrobromide
CAS Number:
1803562-53-9
Molecular Formula:
C8H6Br2F3NO
Molecular Weight:
348.9425
MDL Number:
MFCD28505975
IUPAC Name:
2-bromo-1-[2-(trifluoromethyl)pyridin-4-yl]ethanone;hydrobromide
InChI:
InChI=1S/C8H5BrF3NO.BrH/c9-4-6(14)5-1-2-13-7(3-5)8(10,11)12;/h1-3H,4H2;1H
InChI Key:
FLCOABABTPUFMY-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccnc(c1)C(F)(F)F.Br
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.875g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
348.945g/mol
Monoisotopic Mass:
346.877g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties