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Home > Nitro Compounds > 178269-03-9
178269-03-9 | 1H-Pyrrolo[2,3-b]pyridine, 6-methyl-3-nitro-
CAS No: 178269-03-9 Catalog No: AG0025WD MDL No:
Product Description
Catalog Number:
AG0025WD
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-methyl-3-nitro-
CAS Number:
178269-03-9
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
6-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H7N3O2/c1-5-2-3-6-7(11(12)13)4-9-8(6)10-5/h2-4H,1H3,(H,9,10)
InChI Key:
VMFYYCGQWQPDFW-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)[nH]cc2[N+](=O)[O-]
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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