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192446-70-1 | Phenol, 4-bromo-2,3,6-trifluoro-
CAS No: 192446-70-1 Catalog No: AG002FZG MDL No:
Product Description
Catalog Number:
AG002FZG
Chemical Name:
Phenol, 4-bromo-2,3,6-trifluoro-
CAS Number:
192446-70-1
Molecular Formula:
C6H2BrF3O
Molecular Weight:
226.9787
IUPAC Name:
4-bromo-2,3,6-trifluorophenol
InChI:
InChI=1S/C6H2BrF3O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
InChI Key:
ZFHGAOPLTHSAQQ-UHFFFAOYSA-N
SMILES:
Fc1cc(Br)c(c(c1O)F)F
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.924g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.98g/mol
Monoisotopic Mass:
225.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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