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Home > Nitro Compounds > 160657-11-4
160657-11-4 | Pyridine, 6-methoxy-3-nitro-2-(1H-pyrrol-1-yl)-
CAS No: 160657-11-4 Catalog No: AG001S39 MDL No:
Product Description
Catalog Number:
AG001S39
Chemical Name:
Pyridine, 6-methoxy-3-nitro-2-(1H-pyrrol-1-yl)-
CAS Number:
160657-11-4
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
IUPAC Name:
6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
InChI:
InChI=1S/C10H9N3O3/c1-16-9-5-4-8(13(14)15)10(11-9)12-6-2-3-7-12/h2-7H,1H3
InChI Key:
NRBHEFUHIDJZOH-UHFFFAOYSA-N
SMILES:
COc1ccc(c(n1)n1cccc1)[N+](=O)[O-]
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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