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Home > Nitro Compounds > 1190319-50-6
1190319-50-6 | 1H-Pyrrolo[2,3-c]pyridine, 3,4-dinitro-
CAS No: 1190319-50-6 Catalog No: AG000HUF MDL No:
Product Description
Catalog Number:
AG000HUF
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine, 3,4-dinitro-
CAS Number:
1190319-50-6
Molecular Formula:
C7H4N4O4
Molecular Weight:
208.1311
IUPAC Name:
3,4-dinitro-1H-pyrrolo[2,3-c]pyridine
InChI:
InChI=1S/C7H4N4O4/c12-10(13)5-2-8-1-4-7(5)6(3-9-4)11(14)15/h1-3,9H
InChI Key:
ILGXDYKWAONMAQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cncc2c1c(c[nH]2)[N+](=O)[O-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.133g/mol
Monoisotopic Mass:
208.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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