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Home > Nitro Compounds > 1190318-47-8
1190318-47-8 | 1H-Pyrrolo[3,2-b]pyridine, 5-methyl-3-nitro-
CAS No: 1190318-47-8 Catalog No: AG000HSN MDL No:
Product Description
Catalog Number:
AG000HSN
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 5-methyl-3-nitro-
CAS Number:
1190318-47-8
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
5-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C8H7N3O2/c1-5-2-3-6-8(10-5)7(4-9-6)11(12)13/h2-4,9H,1H3
InChI Key:
FQSPZLWPYKAYLX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)c(c[nH]2)[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:
1.3
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