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Home > Fluorides > 145854-47-3
145854-47-3 | Benzene, 1,1'-oxybis[4-nitro-3-(trifluoromethyl)- (9CI)
CAS No: 145854-47-3 Catalog No: AG001DGD MDL No:
Product Description
Catalog Number:
AG001DGD
Chemical Name:
Benzene, 1,1'-oxybis[4-nitro-3-(trifluoromethyl)- (9CI)
CAS Number:
145854-47-3
Molecular Formula:
C14H6F6N2O5
Molecular Weight:
396.1983
IUPAC Name:
1-nitro-4-[4-nitro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C14H6F6N2O5/c15-13(16,17)9-5-7(1-3-11(9)21(23)24)27-8-2-4-12(22(25)26)10(6-8)14(18,19)20/h1-6H
InChI Key:
RUAXZKJZFYCDQB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1C(F)(F)F)Oc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.018g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.201g/mol
Monoisotopic Mass:
396.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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