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Home > Fluorides > 302781-16-4
302781-16-4 | Benzene, 1,4-bis[4-nitro-2-(trifluoromethyl)phenoxy]-
CAS No: 302781-16-4 Catalog No: AG002ZG4 MDL No:
Product Description
Catalog Number:
AG002ZG4
Chemical Name:
Benzene, 1,4-bis[4-nitro-2-(trifluoromethyl)phenoxy]-
CAS Number:
302781-16-4
Molecular Formula:
C20H10F6N2O6
Molecular Weight:
488.2936
IUPAC Name:
4-nitro-1-[4-[4-nitro-2-(trifluoromethyl)phenoxy]phenoxy]-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C20H10F6N2O6/c21-19(22,23)15-9-11(27(29)30)1-7-17(15)33-13-3-5-14(6-4-13)34-18-8-2-12(28(31)32)10-16(18)20(24,25)26/h1-10H
InChI Key:
JTCDAMOOKOQQGZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)Oc1ccc(cc1)Oc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.044g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
488.298g/mol
Monoisotopic Mass:
488.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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