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206860-48-2 | Benzene, 1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)-
CAS No: 206860-48-2 Catalog No: AG002IQF MDL No:MFCD00061176
Product Description
Catalog Number:
AG002IQF
Chemical Name:
Benzene, 1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)-
CAS Number:
206860-48-2
Molecular Formula:
C8H5BrF4
Molecular Weight:
257.0229
MDL Number:
MFCD00061176
IUPAC Name:
1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5BrF4/c9-4-5-1-2-6(10)3-7(5)8(11,12)13/h1-3H,4H2
InChI Key:
JMNOONULDANZRZ-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1C(F)(F)F)F
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.026g/mol
Monoisotopic Mass:
255.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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