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Home > Nitro Compounds > 190083-85-3
190083-85-3 | Thiophene, 3-[2-(2,4,6-trinitrophenyl)ethenyl]-
CAS No: 190083-85-3 Catalog No: AG002EB3 MDL No:
Product Description
Catalog Number:
AG002EB3
Chemical Name:
Thiophene, 3-[2-(2,4,6-trinitrophenyl)ethenyl]-
CAS Number:
190083-85-3
Molecular Formula:
C12H7N3O6S
Molecular Weight:
321.2655
IUPAC Name:
3-[2-(2,4,6-trinitrophenyl)ethenyl]thiophene
InChI:
InChI=1S/C12H7N3O6S/c16-13(17)9-5-11(14(18)19)10(12(6-9)15(20)21)2-1-8-3-4-22-7-8/h1-7H
InChI Key:
SWLSSTZWGNZPKP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C=Cc1cscc1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.006g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.263g/mol
Monoisotopic Mass:
321.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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