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457-68-1 | Bis(4-fluorophenyl)methane
CAS No: 457-68-1 Catalog No: AG003KFB MDL No:MFCD00000360
Product Description
Catalog Number:
AG003KFB
Chemical Name:
Bis(4-fluorophenyl)methane
CAS Number:
457-68-1
Molecular Formula:
C13H10F2
Molecular Weight:
204.2153
MDL Number:
MFCD00000360
IUPAC Name:
1-fluoro-4-[(4-fluorophenyl)methyl]benzene
InChI:
InChI=1S/C13H10F2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2
InChI Key:
DXQVFHQUHOFROC-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Cc1ccc(cc1)F
EC Number:
207-274-2
NSC Number:
51803
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.22g/mol
Monoisotopic Mass:
204.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Synthesis and characterization of stable hypervalent carbon compounds (10-C-5) bearing a 2,6-bis(p-substituted phenyloxymethyl)benzene ligand. | Journal of the American Chemical Society 20050427 |
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