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Home > Nitro Compounds > 161871-65-4
161871-65-4 | Ethanone, 1-(3-nitro-4-pyridinyl)-
CAS No: 161871-65-4 Catalog No: AG001VX7 MDL No:MFCD03411728
Product Description
Catalog Number:
AG001VX7
Chemical Name:
Ethanone, 1-(3-nitro-4-pyridinyl)-
CAS Number:
161871-65-4
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
MDL Number:
MFCD03411728
IUPAC Name:
1-(3-nitropyridin-4-yl)ethanone
InChI:
InChI=1S/C7H6N2O3/c1-5(10)6-2-3-8-4-7(6)9(11)12/h2-4H,1H3
InChI Key:
WJBPEUKZXRFJDM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnccc1C(=O)C
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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