Chem 5 Bromo 2 Chlorobenzoic Acid Dynax

Compound 29
  CheckMol                        TMF02:r0:m0
MF=C7H4BrClO2 MW=235.46
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0117    1.5023   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3145    2.2534   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2676    2.2534   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3262    3.7557   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2558    3.7557   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0469    4.5186   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6290    4.5069   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0587    6.0209   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6408    6.0092   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9318    3.7675   -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 02  0  1  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  6  7 01  0  1  0  0
M  END

5-Bromo-2-Chlorobenzoic Acid

₹ 0.00 0.00

Chemical Name - 5-Bromo-2-Chlorobenzoic Acid
Mol Weight - 235.464
Smiles - OC(c(cc(cc1)Br)c1Cl)=O

Property Name	Property Value
Mol Name	5-Bromo-2-Chlorobenzoic Acid
Molweight	235.464
Monoisotopic Mass	233.908318
Clogp	2.4759
Clogs	-3.199
H Acceptors	2
H Donors	1
Total Surface Area	131.41
Relative Psa	0.19892
Polar Surface Area	37.3
Druglikeness	-3.4721
Mutagenic	none
Tumorigenic	high
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	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Acidic Oxygens	1
Smiles	OC(c(cc(cc1)Br)c1Cl)=O
InChIKey	InChI=1S/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI	FGERXQWKKIVFQG-UHFFFAOYSA-N

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5-Bromo-2-Chlorobenzoic Acid