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Home > Nitro Compounds > 858493-54-6
858493-54-6 | 1,3,5-Tris(2,2,2-trinitroethyl)-benzene
CAS No: 858493-54-6 Catalog No: AG00G7G7 MDL No:
Product Description
Catalog Number:
AG00G7G7
Chemical Name:
1,3,5-Tris(2,2,2-trinitroethyl)-benzene
CAS Number:
858493-54-6
IUPAC Name:
1,3,5-tris(2,2,2-trinitroethyl)benzene
InChI:
InChI=1S/C12H9N9O18/c22-13(23)10(14(24)25,15(26)27)4-7-1-8(5-11(16(28)29,17(30)31)18(32)33)3-9(2-7)6-12(19(34)35,20(36)37)21(38)39/h1-3H,4-6H2
InChI Key:
OXDBHTYUBIAIIU-UHFFFAOYSA-N
Properties
Complexity:
831
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
567.007g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
567.249g/mol
Monoisotopic Mass:
567.007g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
412A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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