Home Halogens 3,5-Dinitro-2-methylbenzotrifluoride

3,5-Dinitro-2-methylbenzotrifluoride

CAS No.:
1400644-23-6
Catalog Number:
AG009X27
Molecular Formula:
C8H5F3N2O4
Molecular Weight:
250.1315
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$113
- +
5g
95%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG009X27
Chemical Name:
3,5-Dinitro-2-methylbenzotrifluoride
CAS Number:
1400644-23-6
Molecular Formula:
C8H5F3N2O4
Molecular Weight:
250.1315
MDL Number:
MFCD22421484
IUPAC Name:
2-methyl-1,5-dinitro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5F3N2O4/c1-4-6(8(9,10)11)2-5(12(14)15)3-7(4)13(16)17/h2-3H,1H3
InChI Key:
LXOMTLHUSOHRMK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)C(F)(F)F)C
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.02g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.133g/mol
Monoisotopic Mass:
250.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties