Chem 2 Nitro 4 Chloro Phenol Clarion

Compound 14
  CheckMol                        TMF02:r0:m0
MF=C6H4ClNO3 MW=173.56
 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    1.5065   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2711    2.2598   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3182    2.2598   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2594    3.7663   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3300    3.7663   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5423    4.5196   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5314   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8252    3.7899   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5305    6.0262   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588    6.0379   -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 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7  1  0  0  0  0
  5  8 02  0  1  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  6  8 01  0  1  0  0
M  CHG  1   7   1
M  CHG  1  10  -1
M  END

2-Nitro-4-Chloro Phenol

₹ 0.00 0.00

Chemical Name - 2-Nitro-4-Chloro Phenol
Mol Weight - 173.555
Smiles - [O-][N+](c(cc(cc1)Cl)c1O)=O

Property Name	Property Value
Mol Name	2-Nitro-4-Chloro Phenol
Molweight	173.555
Monoisotopic Mass	172.987971
Clogp	0.9983
Clogs	-2.516
H Acceptors	4
H Donors	1
Total Surface Area	118.7
Relative Psa	0.36664
Polar Surface Area	66.05
Druglikeness	-7.3206
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Flexibility	0.35822
Molecular Complexity	0.73778
Fragments	1
Non H Atoms	11
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Acidic Oxygens	1
Smiles	[O-][N+](c(cc(cc1)Cl)c1O)=O
InChIKey	InChI=1S/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
InChI	NWSIFTLPLKCTSX-UHFFFAOYSA-N

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2-Nitro-4-Chloro Phenol