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Home Halogens 3-Fluorobenzotrifluoride

3-Fluorobenzotrifluoride

CAS No.:
401-80-9
Catalog Number:
AG0033PK
Molecular Formula:
C7H4F4
Molecular Weight:
164.1003
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
500g
99%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG0033PK
Chemical Name:
3-Fluorobenzotrifluoride
CAS Number:
401-80-9
Molecular Formula:
C7H4F4
Molecular Weight:
164.1003
MDL Number:
MFCD00000382
IUPAC Name:
1-fluoro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChI Key:
GBOWGKOVMBDPJF-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C(F)(F)F
EC Number:
206-933-1
NSC Number:
10315
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.103g/mol
Monoisotopic Mass:
164.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Electrogenerated chemiluminescence of 9,10-diphenylanthracene, rubrene, and anthracene in fluorinated aromatic solvents. The journal of physical chemistry. A 20080918
Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. Journal of medicinal chemistry 20050922
Properties