Home Halogens 2-Methyl-5-nitrobenzotrifluoride

2-Methyl-5-nitrobenzotrifluoride

CAS No.:
89976-12-5
Catalog Number:
AG003HNP
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
$120
- +
100g
98%
In Stock USA
United States
$360
- +
Product Description
Catalog Number:
AG003HNP
Chemical Name:
2-Methyl-5-nitrobenzotrifluoride
CAS Number:
89976-12-5
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
MDL Number:
MFCD01631684
IUPAC Name:
1-methyl-4-nitro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F3NO2/c1-5-2-3-6(12(13)14)4-7(5)8(9,10)11/h2-4H,1H3
InChI Key:
SVQCVQCIZWSPPX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)C
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:
3.4  
Properties