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64115-88-4 | 1-Bromo-2-(trifluoromethoxy)benzene
CAS No: 64115-88-4 Catalog No: AG003F5D MDL No:MFCD00040942
Product Description
Catalog Number:
AG003F5D
Chemical Name:
1-Bromo-2-(trifluoromethoxy)benzene
CAS Number:
64115-88-4
Molecular Formula:
C7H4BrF3O
Molecular Weight:
241.0053
MDL Number:
MFCD00040942
IUPAC Name:
1-bromo-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H4BrF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
InChI Key:
ITYCJCVRPBLODP-UHFFFAOYSA-N
SMILES:
Brc1ccccc1OC(F)(F)F
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.007g/mol
Monoisotopic Mass:
239.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Triarylmethanes, a new class of cx50 inhibitors. | Frontiers in pharmacology 20120101 |
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