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87002-20-8 | 1-[(2,4-dinitrophenoxy)methyl]-2,3,4,5,6-pentafluorobenzene
CAS No: 87002-20-8 Catalog No: AG004KAT MDL No:
Product Description
Catalog Number:
AG004KAT
Chemical Name:
1-[(2,4-dinitrophenoxy)methyl]-2,3,4,5,6-pentafluorobenzene
CAS Number:
87002-20-8
Molecular Formula:
C13H5F5N2O5
Molecular Weight:
364.1812
IUPAC Name:
1-[(2,4-dinitrophenoxy)methyl]-2,3,4,5,6-pentafluorobenzene
InChI:
InChI=1S/C13H5F5N2O5/c14-9-6(10(15)12(17)13(18)11(9)16)4-25-8-2-1-5(19(21)22)3-7(8)20(23)24/h1-3H,4H2
InChI Key:
DZAZKWORJYRYBA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1OCc1c(F)c(F)c(c(c1F)F)F)[N+](=O)[O-]
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.012g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.184g/mol
Monoisotopic Mass:
364.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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