Chem 2 Chloro 4 Nitropyridine N Oxide AlkaliMetal

Compound 240
  CheckMol                        TMF02:r0:m0
MF=C5H3ClN2O3 MW=174.54
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5045   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2695    2.2568   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3165    2.2568   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5507    1.5163   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2577    3.7614   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3282    3.7614   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0470    4.5254   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6330    4.5136   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447    6.0182   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9377    3.7731   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  6  8 02  0  1  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  7  8 01  0  1  0  0
M  CHG  1   3   1
M  CHG  1   5  -1
M  CHG  1   9   1
M  CHG  1  11  -1
M  END

2-Chloro-4-Nitropyridine-N-Oxide

₹ 0.00 0.00

Chemical Name - 2-Chloro-4-Nitropyridine-N-Oxide
Mol Weight - 174.543
Smiles - [O-][N+](c(cc1)cc(Cl)[n+]1[O-])=O

Property Name	Property Value
Mol Name	2-Chloro-4-Nitropyridine-N-Oxide
Molweight	174.543
Monoisotopic Mass	173.98322
Clogp	-0.035
Clogs	-4.164
H Acceptors	5
Total Surface Area	114.4
Relative Psa	0.39056
Polar Surface Area	71.28
Druglikeness	-7.4592
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.35822
Molecular Complexity	0.74271
Fragments	1
Non H Atoms	11
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Aromatic Nitrogens	1
Acidic Oxygens	2
Smiles	[O-][N+](c(cc1)cc(Cl)[n+]1[O-])=O
InChIKey	InChI=1S/C5H3ClN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H
InChI	YSTCMHHKDOVZDA-UHFFFAOYSA-N

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2-Chloro-4-Nitropyridine-N-Oxide