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Home > Nitro Compounds > 68959-42-2
68959-42-2 | 1,3,5-Tris(1-methylethoxy)-2,4,6-trinitrobenzene
CAS No: 68959-42-2 Catalog No: AG00G0NG MDL No:
Product Description
Catalog Number:
AG00G0NG
Chemical Name:
1,3,5-Tris(1-methylethoxy)-2,4,6-trinitrobenzene
CAS Number:
68959-42-2
IUPAC Name:
1,3,5-trinitro-2,4,6-tri(propan-2-yloxy)benzene
InChI:
InChI=1S/C15H21N3O9/c1-7(2)25-13-10(16(19)20)14(26-8(3)4)12(18(23)24)15(27-9(5)6)11(13)17(21)22/h7-9H,1-6H3
InChI Key:
YAIQTFRWKMNPTB-UHFFFAOYSA-N
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.128g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.345g/mol
Monoisotopic Mass:
387.128g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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