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Home > Nitro Compounds > 20555-93-5
20555-93-5 | Benzene, 2-(2,4-dinitrophenoxy)-1,3-bis(1-methylethyl)-
CAS No: 20555-93-5 Catalog No: AG002A6O MDL No:
Product Description
Catalog Number:
AG002A6O
Chemical Name:
Benzene, 2-(2,4-dinitrophenoxy)-1,3-bis(1-methylethyl)-
CAS Number:
20555-93-5
Molecular Formula:
C18H20N2O5
Molecular Weight:
344.3618
IUPAC Name:
2-(2,4-dinitrophenoxy)-1,3-di(propan-2-yl)benzene
InChI:
InChI=1S/C18H20N2O5/c1-11(2)14-6-5-7-15(12(3)4)18(14)25-17-9-8-13(19(21)22)10-16(17)20(23)24/h5-12H,1-4H3
InChI Key:
LBWSNEPXIZBNJQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Oc1c(cccc1C(C)C)C(C)C)[N+](=O)[O-]
NSC Number:
119191
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.367g/mol
Monoisotopic Mass:
344.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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