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1443341-93-2 | 3-Bromo-3'-fluoro-4'-(trifluoromethoxy)biphenyl
CAS No: 1443341-93-2 Catalog No: AG01F9VZ MDL No:
Product Description
Catalog Number:
AG01F9VZ
Chemical Name:
3-Bromo-3'-fluoro-4'-(trifluoromethoxy)biphenyl
CAS Number:
1443341-93-2
Molecular Formula:
C13H7BrF4O
Molecular Weight:
335.0917
IUPAC Name:
4-(3-bromophenyl)-2-fluoro-1-(trifluoromethoxy)benzene
InChI:
InChI=1S/C13H7BrF4O/c14-10-3-1-2-8(6-10)9-4-5-12(11(15)7-9)19-13(16,17)18/h1-7H
InChI Key:
WWYJUYXIJDZLOC-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1ccc(c(c1)F)OC(F)(F)F
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.962g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.096g/mol
Monoisotopic Mass:
333.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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