Home Nitros 2,4-Dinitro-1-(trifluoromethoxy)benzene

2,4-Dinitro-1-(trifluoromethoxy)benzene

CAS No.:
655-07-2
Catalog Number:
AG003FUU
Molecular Formula:
C7H3F3N2O5
Molecular Weight:
252.1043
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Product Description
Catalog Number:
AG003FUU
Chemical Name:
2,4-Dinitro-1-(trifluoromethoxy)benzene
CAS Number:
655-07-2
Molecular Formula:
C7H3F3N2O5
Molecular Weight:
252.1043
MDL Number:
MFCD00042268
IUPAC Name:
2,4-dinitro-1-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H3F3N2O5/c8-7(9,10)17-6-2-1-4(11(13)14)3-5(6)12(15)16/h1-3H
InChI Key:
KYUUZCUXYXNPFO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1OC(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.999g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.105g/mol
Monoisotopic Mass:
251.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Synthesis and adsorption on gold surfaces of a functionalized thiol: elaboration and test of a new nitroaromatic gas sensor. Journal of colloid and interface science 20040401
Properties