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1965304-68-0

1965304-68-0 | 2-Fluoro-1-nitro-3,5-bis(trifluoromethyl)benzene

CAS No: 1965304-68-0 Catalog No: AG01F9ML MDL No:MFCD28098298

Product Description

Catalog Number:
AG01F9ML
Chemical Name:
2-Fluoro-1-nitro-3,5-bis(trifluoromethyl)benzene
CAS Number:
1965304-68-0
Molecular Formula:
C8H2F7NO2
Molecular Weight:
277.0958
MDL Number:
MFCD28098298
IUPAC Name:
2-fluoro-1-nitro-3,5-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C8H2F7NO2/c9-6-4(8(13,14)15)1-3(7(10,11)12)2-5(6)16(17)18/h1-2H
InChI Key:
JSSGSVZQTIHVSB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1F)C(F)(F)F)C(F)(F)F

Properties

Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.997g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.098g/mol
Monoisotopic Mass:
276.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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