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Home > Nitro Compounds > 1000340-19-1
1000340-19-1 | 1H-Pyrrolo[2,3-b]pyridine, 6-methyl-5-nitro-
CAS No: 1000340-19-1 Catalog No: AG0000D1 MDL No:
Product Description
Catalog Number:
AG0000D1
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-methyl-5-nitro-
CAS Number:
1000340-19-1
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
6-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H7N3O2/c1-5-7(11(12)13)4-6-2-3-9-8(6)10-5/h2-4H,1H3,(H,9,10)
InChI Key:
DLYUJKUXLFSSDQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cc[nH]c2nc1C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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