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Home > Nitro Compounds > 2363-27-1
2363-27-1 | Benzene, 1-(4-methoxyphenoxy)-2,4-dinitro-
CAS No: 2363-27-1 Catalog No: AG002NYQ MDL No:
Product Description
Catalog Number:
AG002NYQ
Chemical Name:
Benzene, 1-(4-methoxyphenoxy)-2,4-dinitro-
CAS Number:
2363-27-1
Molecular Formula:
C13H10N2O6
Molecular Weight:
290.2283
IUPAC Name:
1-(4-methoxyphenoxy)-2,4-dinitrobenzene
InChI:
InChI=1S/C13H10N2O6/c1-20-10-3-5-11(6-4-10)21-13-7-2-9(14(16)17)8-12(13)15(18)19/h2-8H,1H3
InChI Key:
MDDBYXDIPLKDKA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.054g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.231g/mol
Monoisotopic Mass:
290.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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