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Home Halogens 2-Methyl-3-nitrobenzotrifluoride

2-Methyl-3-nitrobenzotrifluoride

CAS No.:
6656-49-1
Catalog Number:
AG0033E0
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$30
- +
25g
98%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$207
- +
500g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG0033E0
Chemical Name:
2-Methyl-3-nitrobenzotrifluoride
CAS Number:
6656-49-1
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
MDL Number:
MFCD00042322
IUPAC Name:
2-methyl-1-nitro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F3NO2/c1-5-6(8(9,10)11)3-2-4-7(5)12(13)14/h2-4H,1H3
InChI Key:
KQUQBPVYIURTNZ-UHFFFAOYSA-N
SMILES:
O=N(=O)c1cccc(c1C)C(F)(F)F
EC Number:
229-688-2
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.136g/mol
Monoisotopic Mass:
205.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Synthesis and biological activities of 4-trifluoromethylindole-3-acetic acid: a new fluorinated indole auxin. Bioscience, biotechnology, and biochemistry 20080801
Properties