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2105-94-4 | Phenol, 4-bromo-2-fluoro-
CAS No: 2105-94-4 Catalog No: AG002KUE MDL No:MFCD00011722
Product Description
Catalog Number:
AG002KUE
Chemical Name:
Phenol, 4-bromo-2-fluoro-
CAS Number:
2105-94-4
Molecular Formula:
C6H4BrFO
Molecular Weight:
190.9978
MDL Number:
MFCD00011722
IUPAC Name:
4-bromo-2-fluorophenol
InChI:
InChI=1S/C6H4BrFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChI Key:
RYVOZMPTISNBDB-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)O
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.943g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.999g/mol
Monoisotopic Mass:
189.943g/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
Literature
| Title | Journal |
|---|---|
| 1hJFH coupling in 2-fluorophenol revisited: is intramolecular hydrogen bond responsible for this long-range coupling? | Magnetic resonance in chemistry : MRC 20111201 |
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