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Home Halogens 3,5-Dinitrobenzotrifluoride

3,5-Dinitrobenzotrifluoride

CAS No.:
401-99-0
Catalog Number:
AG0033JR
Molecular Formula:
C7H3F3N2O4
Molecular Weight:
236.1049
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG0033JR
Chemical Name:
3,5-Dinitrobenzotrifluoride
CAS Number:
401-99-0
Molecular Formula:
C7H3F3N2O4
Molecular Weight:
236.1049
MDL Number:
MFCD00007233
IUPAC Name:
1,3-dinitro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H
InChI Key:
QZADIXWDDVQVKM-UHFFFAOYSA-N
SMILES:
O=N(=O)c1cc(cc(c1)C(F)(F)F)N(=O)=O
EC Number:
206-935-2
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.004g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.106g/mol
Monoisotopic Mass:
236.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Redox-active dinitrodiphenylthioethers against Leishmania: synthesis, structure-activity relationships and mechanism of action studies. Bioorganic & medicinal chemistry 20090115
Synthesis and biological evaluation of methoxyphenyl porphyrin derivatives as potential photodynamic agents. Bioorganic & medicinal chemistry 20010801
Properties