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341-41-3 | 1-Bromo-4-fluoronaphthalene
CAS No: 341-41-3 Catalog No: AG003E4W MDL No:MFCD00051473
Product Description
Catalog Number:
AG003E4W
Chemical Name:
1-Bromo-4-fluoronaphthalene
CAS Number:
341-41-3
Molecular Formula:
C10H6BrF
Molecular Weight:
225.0570
MDL Number:
MFCD00051473
IUPAC Name:
1-bromo-4-fluoronaphthalene
InChI:
InChI=1S/C10H6BrF/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChI Key:
VAUJZKBFENPOCH-UHFFFAOYSA-N
SMILES:
Brc1ccc(c2c1cccc2)F
EC Number:
206-434-9
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.964g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.06g/mol
Monoisotopic Mass:
223.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of 1-bromo 4-fluoronaphthalene. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081001 |
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