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261951-84-2 | Benzene, 1-(bromomethyl)-3-fluoro-2-(trifluoromethyl)-
CAS No: 261951-84-2 Catalog No: AG002S6G MDL No:MFCD01631568
Product Description
Catalog Number:
AG002S6G
Chemical Name:
Benzene, 1-(bromomethyl)-3-fluoro-2-(trifluoromethyl)-
CAS Number:
261951-84-2
Molecular Formula:
C8H5BrF4
Molecular Weight:
257.0229
MDL Number:
MFCD01631568
IUPAC Name:
1-(bromomethyl)-3-fluoro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5BrF4/c9-4-5-2-1-3-6(10)7(5)8(11,12)13/h1-3H,4H2
InChI Key:
HTWOLWSZQAPKQA-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1C(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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