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Home > Nitro Compounds > 1245644-73-8
1245644-73-8 | Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione, 6-nitro-
CAS No: 1245644-73-8 Catalog No: AG000M8N MDL No:
Product Description
Catalog Number:
AG000M8N
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione, 6-nitro-
CAS Number:
1245644-73-8
Molecular Formula:
C6H4N4O4
Molecular Weight:
196.1204
IUPAC Name:
6-nitro-1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione
InChI:
InChI=1S/C6H4N4O4/c11-5-4-1-3(10(13)14)2-9(4)8-6(12)7-5/h1-2H,(H2,7,8,11,12)
InChI Key:
ZJWFMXGAGGWOGF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn2c(c1)c(=O)[nH]c(=O)[nH]2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.122g/mol
Monoisotopic Mass:
196.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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