Chem 3 Amino 4 Bromoanisole Hydrochloride

Compound 55
  CheckMol                        TMF02:r0:m0
MF=C7H9BrClNO MW=238.51
 11 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7416    1.3066   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2247    1.3183   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0235    2.6131   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.9663    0.0353   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9663    2.6249   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.7180    3.9197   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2012    3.9315   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.9427    5.2381   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1776    6.5446   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5559    2.8250   -0.0000 Cl  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

3 Amino 4 Bromoanisole Hydrochloride

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Chemical Name - 3 Amino 4 Bromoanisole Hydrochloride
Mol Weight - 202.051
Smiles -

Property Name	Property Value
Mol Name	3 Amino 4 Bromoanisole Hydrochloride
Molweight	202.051
Monoisotopic Mass	200.978925
Clogp	1.6375
Clogs	-2.544
H Acceptors	2
H Donors	1
Total Surface Area	122.67
Relative Psa	0.206
Polar Surface Area	35.25
Druglikeness	-3.5312
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.26356
Molecular Complexity	0.65917
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Amines	1
Aromatic Amines	1
Smiles

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3 Amino 4 Bromoanisole Hydrochloride