Chem Alpha Bromo 2 Chlorophenyl Acetic Acid

Compound 70
  CheckMol                        TMF02:r0:m0
MF=C8H6BrClO2 MW=249.49
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3109   -0.7440   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3227   -2.2321   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6218    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337   -2.9643   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354   -2.9761   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6337    1.5235   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9328   -0.7322   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9446   -2.1967   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6455   -4.4524   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0472   -4.4642   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3582   -5.1965   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5 02  0  1  0  0
  3  6 01  0  1  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10 01  0  1  0  0
  6 11 02  0  1  0  0
 10 12 02  0  1  0  0
 11 12 01  0  1  0  0
M  END

Alpha Bromo 2-Chlorophenyl Acetic Acid

₹ 0.00 0.00

Chemical Name - Alpha Bromo 2-Chlorophenyl Acetic Acid
Mol Weight - 249.491
Smiles - OC(C(c(cccc1)c1Cl)Br)=O

Property Name	Property Value
Mol Name	Alpha Bromo 2-Chlorophenyl Acetic Acid
Molweight	249.491
Monoisotopic Mass	247.923968
Clogp	2.5261
Clogs	-2.864
H Acceptors	2
H Donors	1
Total Surface Area	143.91
Relative Psa	0.18164
Polar Surface Area	37.3
Druglikeness	-13.093
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.46857
Molecular Complexity	0.6452
Fragments	1
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	1
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Acidic Oxygens	1
Smiles	OC(C(c(cccc1)c1Cl)Br)=O
InChIKey	InChI=1S/C8H6BrClO2/c9-7(8(11)12)5-3-1-2-4-6(5)10/h1-4,7H,(H,11,12)
InChI	XHAPROULWZYBGA-UHFFFAOYSA-N

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Alpha Bromo 2-Chlorophenyl Acetic Acid