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Home > Nitro Compounds > 27116-83-2
27116-83-2 | 4-(4-nitro-1H-pyrazol-3-yl)pyridine
CAS No: 27116-83-2 Catalog No: AG019QY5 MDL No:MFCD14657953
Product Description
Catalog Number:
AG019QY5
Chemical Name:
4-(4-nitro-1H-pyrazol-3-yl)pyridine
CAS Number:
27116-83-2
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
MDL Number:
MFCD14657953
IUPAC Name:
4-(4-nitro-1H-pyrazol-5-yl)pyridine
InChI:
InChI=1S/C8H6N4O2/c13-12(14)7-5-10-11-8(7)6-1-3-9-4-2-6/h1-5H,(H,10,11)
InChI Key:
QNIYLJZNEUCTHC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]nc1c1ccncc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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