Home Other Building Blocks 1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene

1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene

CAS No.:
184970-25-0
Catalog Number:
AG003H8L
Molecular Formula:
C8H5BrF4
Molecular Weight:
257.0229
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Product Description
Catalog Number:
AG003H8L
Chemical Name:
1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CAS Number:
184970-25-0
Molecular Formula:
C8H5BrF4
Molecular Weight:
257.0229
MDL Number:
MFCD00061172
IUPAC Name:
1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5BrF4/c9-4-5-2-1-3-6(7(5)10)8(11,12)13/h1-3H,4H2
InChI Key:
QBEHXDXQUVMEQX-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1F)C(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  
Properties