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Home > Nitro Compounds > 85989-42-0
85989-42-0 | 1-Nitro-4-(2,2,2-trinitroethyl)-benzene
CAS No: 85989-42-0 Catalog No: AG00H1O0 MDL No:
Product Description
Catalog Number:
AG00H1O0
Chemical Name:
1-Nitro-4-(2,2,2-trinitroethyl)-benzene
CAS Number:
85989-42-0
IUPAC Name:
1-nitro-4-(2,2,2-trinitroethyl)benzene
InChI:
InChI=1S/C8H6N4O8/c13-9(14)7-3-1-6(2-4-7)5-8(10(15)16,11(17)18)12(19)20/h1-4H,5H2
InChI Key:
GHNHNALJZZZEOP-UHFFFAOYSA-N
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.019g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.156g/mol
Monoisotopic Mass:
286.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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