Chem 5 Chloro 2 Nitro Aniline

Compound 19
  CheckMol                        TMF02:r0:m0
MF=C6H5ClN2O2 MW=172.57
 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
   -1.3016    0.7622   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6033    0.0352   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3134    2.2632   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9049    0.7857   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6150    3.0254   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2065    0.0586   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9166    2.2867   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2183    3.0371   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2300    4.5381   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5199    2.2984   -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
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6  8 01  0  1  0  0
M  CHG  1   9   1
M  CHG  1  11  -1
M  END

5-Chloro 2-Nitro Aniline

₹ 0.00 0.00

Chemical Name - 5-Chloro 2-Nitro Aniline
Mol Weight - 172.571
Smiles - Nc(cc(cc1)Cl)c1[N+]([O-])=O

Property Name	Property Value
Mol Name	5-Chloro 2-Nitro Aniline
Molweight	172.571
Monoisotopic Mass	172.003955
Clogp	0.6667
Clogs	-2.888
H Acceptors	4
H Donors	1
Total Surface Area	120.87
Relative Psa	0.37801
Polar Surface Area	71.84
Druglikeness	-7.0299
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.35822
Molecular Complexity	0.72752
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	1
Amines	1
Aromatic Amines	1
Acidic Oxygens	1
Smiles	Nc(cc(cc1)Cl)c1[N+]([O-])=O
InChIKey	InChI=1S/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2
InChI	ZCWXYZBQDNFULS-UHFFFAOYSA-N

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5-Chloro 2-Nitro Aniline