Chem 4 Bromo 1 Iodo 2 Nitrobenzene Infi

Compound 118
  CheckMol                        TMF02:r0:m0
MF=C6H3BrINO2 MW=327.90
 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
    1.2877    0.7561   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2759    2.2682   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5754    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0243   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5636    3.0243   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8631    0.7797   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473    4.5365   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3468    2.2801   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8513    2.2801   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1390    3.0361   -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  CHG  1   5   1
M  CHG  1   9  -1
M  END

4-Bromo-1-iodo-2-nitrobenzene

₹ 0.00 0.00

Chemical Name - 4-Bromo-1-iodo-2-nitrobenzene
Mol Weight - 327.899
Smiles - [O-][N+](c(cc(cc1)Br)c1I)=O

Property Name	Property Value
Mol Name	4-Bromo-1-iodo-2-nitrobenzene
Molweight	327.899
Monoisotopic Mass	326.839188
Clogp	1.9003
Clogs	-3.926
H Acceptors	3
Total Surface Area	141.84
Relative Psa	0.21447
Polar Surface Area	45.82
Druglikeness	-8.1839
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	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Acidic Oxygens	1
Smiles	[O-][N+](c(cc(cc1)Br)c1I)=O
InChIKey	InChI=1S/C6H3BrINO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChI	XLUAZLDTZYHVSO-UHFFFAOYSA-N

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4-Bromo-1-iodo-2-nitrobenzene