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933674-89-6 | 3-trifluoromethyl-4-(trifluoromethoxy)-bromobenzene
CAS No: 933674-89-6 Catalog No: AG01EZCO MDL No:
Product Description
Catalog Number:
AG01EZCO
Chemical Name:
3-trifluoromethyl-4-(trifluoromethoxy)-bromobenzene
CAS Number:
933674-89-6
Molecular Formula:
C8H3BrF6O
Molecular Weight:
309.0032
IUPAC Name:
4-bromo-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3BrF6O/c9-4-1-2-6(16-8(13,14)15)5(3-4)7(10,11)12/h1-3H
InChI Key:
DTCUJNHGVFXHIE-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(F)(F)F)OC(F)(F)F
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.927g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.005g/mol
Monoisotopic Mass:
307.927g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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