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Home > Nitro Compounds > 120494-05-5
120494-05-5 | Pyridine, 4-methyl-3-nitro-2-(1H-pyrrol-1-yl)-
CAS No: 120494-05-5 Catalog No: AG01DPLF MDL No:MFCD12404906
Product Description
Catalog Number:
AG01DPLF
Chemical Name:
Pyridine, 4-methyl-3-nitro-2-(1H-pyrrol-1-yl)-
CAS Number:
120494-05-5
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD12404906
IUPAC Name:
4-methyl-3-nitro-2-pyrrol-1-ylpyridine
InChI:
InChI=1S/C10H9N3O2/c1-8-4-5-11-10(9(8)13(14)15)12-6-2-3-7-12/h2-7H,1H3
InChI Key:
BSJDEUJISIOWPT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)ccnc1n1cccc1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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