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Home > Nitro Compounds > 1269291-88-4
1269291-88-4 | Pyridine, 3-[1-(4-nitrophenyl)-1H-pyrazol-5-yl]-
CAS No: 1269291-88-4 Catalog No: AG000TIT MDL No:MFCD20275502
Product Description
Catalog Number:
AG000TIT
Chemical Name:
Pyridine, 3-[1-(4-nitrophenyl)-1H-pyrazol-5-yl]-
CAS Number:
1269291-88-4
Molecular Formula:
C14H10N4O2
Molecular Weight:
266.2548
MDL Number:
MFCD20275502
IUPAC Name:
3-[2-(4-nitrophenyl)pyrazol-3-yl]pyridine
InChI:
InChI=1S/C14H10N4O2/c19-18(20)13-5-3-12(4-6-13)17-14(7-9-16-17)11-2-1-8-15-10-11/h1-10H
InChI Key:
NWNRBTLSPABRJQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nccc1c1cccnc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.26g/mol
Monoisotopic Mass:
266.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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