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Home > Nitro Compounds > 67437-91-6

67437-91-6

67437-91-6 | Ethanol, 2,2'-[(2,4,6-trinitro-1,3-phenylene)bis(oxy)]bis-

CAS No: 67437-91-6 Catalog No: AG005O42 MDL No:

Product Description

Catalog Number:
AG005O42
Chemical Name:
Ethanol, 2,2'-[(2,4,6-trinitro-1,3-phenylene)bis(oxy)]bis-
CAS Number:
67437-91-6
Molecular Formula:
C10H11N3O10
Molecular Weight:
333.2084
IUPAC Name:
2-[3-(2-hydroxyethoxy)-2,4,6-trinitrophenoxy]ethanol
InChI:
InChI=1S/C10H11N3O10/c14-1-3-22-9-6(11(16)17)5-7(12(18)19)10(23-4-2-15)8(9)13(20)21/h5,14-15H,1-4H2
InChI Key:
DDKWNCLDRTWYAL-UHFFFAOYSA-N
SMILES:
OCCOc1c([N+](=O)[O-])c(OCCO)c(cc1[N+](=O)[O-])[N+](=O)[O-]

Properties

Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.044g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
333.209g/mol
Monoisotopic Mass:
333.044g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

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