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Home Halogens 4-Benzyloxybenzotrifluoride

4-Benzyloxybenzotrifluoride

CAS No.:
70097-65-3
Catalog Number:
AG003KTO
Molecular Formula:
C14H11F3O
Molecular Weight:
252.2317
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$53
- +
5g
98%
In Stock USA
United States
$213
- +
Product Description
Catalog Number:
AG003KTO
Chemical Name:
4-Benzyloxybenzotrifluoride
CAS Number:
70097-65-3
Molecular Formula:
C14H11F3O
Molecular Weight:
252.2317
MDL Number:
MFCD00275905
IUPAC Name:
1-phenylmethoxy-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C14H11F3O/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
SNRFAICCYVUTRG-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)OCc1ccccc1)(F)F
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.076g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.236g/mol
Monoisotopic Mass:
252.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Fluoxetine and norfluoxetine revisited: new insights into the electrochemical and spectroscopic properties. The journal of physical chemistry. A 20090910
Properties