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Home > Nitro Compounds > 145473-56-9
145473-56-9 | Thiophene, 2,2'-(2,3-dinitro-1,3-butadiene-1,4-diyl)bis-
CAS No: 145473-56-9 Catalog No: AG001D2N MDL No:
Product Description
Catalog Number:
AG001D2N
Chemical Name:
Thiophene, 2,2'-(2,3-dinitro-1,3-butadiene-1,4-diyl)bis-
CAS Number:
145473-56-9
Molecular Formula:
C12H8N2O4S2
Molecular Weight:
308.3329
IUPAC Name:
2-(2,3-dinitro-4-thiophen-2-ylbuta-1,3-dienyl)thiophene
InChI:
InChI=1S/C12H8N2O4S2/c15-13(16)11(7-9-3-1-5-19-9)12(14(17)18)8-10-4-2-6-20-10/h1-8H
InChI Key:
HXXRASKNKHZSAG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=Cc1cccs1)C(=Cc1cccs1)[N+](=O)[O-]
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.993g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.326g/mol
Monoisotopic Mass:
307.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.5
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