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Home > Nitro Compounds > 71466-52-9
71466-52-9 | 2-[(1-Methylethyl)sulfonyl]-1,3,5-trinitrobenzene
CAS No: 71466-52-9 Catalog No: AG00FUOK MDL No:
Product Description
Catalog Number:
AG00FUOK
Chemical Name:
2-[(1-Methylethyl)sulfonyl]-1,3,5-trinitrobenzene
CAS Number:
71466-52-9
IUPAC Name:
1,3,5-trinitro-2-propan-2-ylsulfonylbenzene
InChI:
InChI=1S/C9H9N3O8S/c1-5(2)21(19,20)9-7(11(15)16)3-6(10(13)14)4-8(9)12(17)18/h3-5H,1-2H3
InChI Key:
JVEUWEGCXPYYBN-UHFFFAOYSA-N
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.011g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.244g/mol
Monoisotopic Mass:
319.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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