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Home > Nitro Compounds > 87883-17-8
87883-17-8 | Ethanone, 1-(5-nitro-3-pyridinyl)-
CAS No: 87883-17-8 Catalog No: AG004IVM MDL No:
Product Description
Catalog Number:
AG004IVM
Chemical Name:
Ethanone, 1-(5-nitro-3-pyridinyl)-
CAS Number:
87883-17-8
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
IUPAC Name:
1-(5-nitropyridin-3-yl)ethanone
InChI:
InChI=1S/C7H6N2O3/c1-5(10)6-2-7(9(11)12)4-8-3-6/h2-4H,1H3
InChI Key:
AMRROBUZGNVCBL-UHFFFAOYSA-N
SMILES:
CC(=O)c1cncc(c1)[N+](=O)[O-]
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.136g/mol
Monoisotopic Mass:
166.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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