Chem 2 Iodo 5 Bromobenzoic Acid Infi

Compound 110
  CheckMol                        TMF02:r0:m0
MF=C7H4BrIO2 MW=326.92
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4921   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3263   -2.2381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2789   -2.2263   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6408   -1.4802   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3381   -3.7302   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2671   -3.7184   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6526    0.0355   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9552   -2.2144   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4644   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0592   -5.9565   -0.0000 Br  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
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10 02  0  1  0  0
 10 11  1  0  0  0  0
  7 10 01  0  1  0  0
M  END

2-Iodo-5-bromobenzoic acid

₹ 0.00 0.00

Chemical Name - 2-Iodo-5-bromobenzoic acid
Mol Weight - 326.911
Smiles - OC(c(cc(cc1)Br)c1I)=O

Property Name	Property Value
Mol Name	2-Iodo-5-bromobenzoic acid
Molweight	326.911
Monoisotopic Mass	325.843939
Clogp	2.307
Clogs	-3.479
H Acceptors	2
H Donors	1
Total Surface Area	142.27
Relative Psa	0.18374
Polar Surface Area	37.3
Druglikeness	-2.707
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	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)c1I)=O
InChIKey	InChI=1S/C7H4BrIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI	IGBNDUKRHPTOBP-UHFFFAOYSA-N

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1 - 2-Iodo-5-bromobenzoic acid
2 - 2-Iodo-5-bromobenzoic acid

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2-Iodo-5-bromobenzoic acid