Home Halogens 1-(2-bromo-5-(trifluoromethyl)phenyl)ethanone

1-(2-bromo-5-(trifluoromethyl)phenyl)ethanone

CAS No.:
1232407-41-8
Catalog Number:
AG01DI9F
Molecular Formula:
C9H6BrF3O
Molecular Weight:
267.0425
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Product Description
Catalog Number:
AG01DI9F
Chemical Name:
1-(2-bromo-5-(trifluoromethyl)phenyl)ethanone
CAS Number:
1232407-41-8
Molecular Formula:
C9H6BrF3O
Molecular Weight:
267.0425
MDL Number:
MFCD22493258
IUPAC Name:
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H6BrF3O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3
InChI Key:
GBKOKZGIXQZTPC-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(ccc1Br)C(F)(F)F
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.955g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.045g/mol
Monoisotopic Mass:
265.955g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties