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Home > Nitro Compounds > 832112-47-7
832112-47-7 | 1,2,4,5-Tetrazine, 1,2-dihydro-3,6-bis(5-nitro-2-pyridinyl)-
CAS No: 832112-47-7 Catalog No: AG004UN1 MDL No:
Product Description
Catalog Number:
AG004UN1
Chemical Name:
1,2,4,5-Tetrazine, 1,2-dihydro-3,6-bis(5-nitro-2-pyridinyl)-
CAS Number:
832112-47-7
Molecular Formula:
C12H8N8O4
Molecular Weight:
328.2431
IUPAC Name:
3,6-bis(5-nitropyridin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine
InChI:
InChI=1S/C12H8N8O4/c21-19(22)7-1-3-9(13-5-7)11-15-17-12(18-16-11)10-4-2-8(6-14-10)20(23)24/h1-6H,(H,15,16)(H,17,18)
InChI Key:
JPFJUAFGSJGOEQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)c1nnc([nH][nH]1)c1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.067g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.248g/mol
Monoisotopic Mass:
328.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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