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844439-00-5 | Benzene, 2-bromo-1,3,5-trifluoro-4-(trifluoromethyl)-
CAS No: 844439-00-5 Catalog No: AG004WPV MDL No:
Product Description
Catalog Number:
AG004WPV
Chemical Name:
Benzene, 2-bromo-1,3,5-trifluoro-4-(trifluoromethyl)-
CAS Number:
844439-00-5
Molecular Formula:
C7HBrF6
Molecular Weight:
278.9773
IUPAC Name:
2-bromo-1,3,5-trifluoro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C7HBrF6/c8-5-3(10)1-2(9)4(6(5)11)7(12,13)14/h1H
InChI Key:
WXJUJSRSVAUNLE-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(c(c1C(F)(F)F)F)Br
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.917g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.979g/mol
Monoisotopic Mass:
277.917g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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