Chem 26 Dibromo Trifluoro Methoxy Aniline Pacific

Compound 127
  CheckMol                        TMF02:r0:m0
MF=C7H4Br2F3NO MW=334.92
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5055   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2703    2.2583   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3174    2.2583   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5524    1.5173   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2585    3.7639   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6229    1.5173   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3291    3.7639   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5406    4.5284   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    4.5166   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9285    2.2701   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6347    4.5166   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588    6.0222   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2341    1.5291   -0.0000 C   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  1  0  0  0  0
  4  8 02  0  1  0  0
  6  9  1  0  0  0  0
  6 10 02  0  1  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
  8 10 01  0  1  0  0
M  END

2,6 Dibromo Trifluoro Methoxy Aniline

₹ 0.00 0.00

Chemical Name - 2,6 Dibromo Trifluoro Methoxy Aniline
Mol Weight - 334.917
Smiles - CONc(c(Br)c(c(F)c1F)F)c1Br

Property Name	Property Value
Mol Name	2,6 Dibromo Trifluoro Methoxy Aniline
Molweight	334.917
Monoisotopic Mass	332.86117
Clogp	4.2257
Clogs	-3.946
H Acceptors	2
H Donors	1
Total Surface Area	163.29
Relative Psa	0.13142
Polar Surface Area	21.26
Druglikeness	-3.6343
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.35505
Molecular Complexity	0.75402
Fragments	1
Non H Atoms	14
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Symmetric Atoms	4
Smiles	CONc(c(Br)c(c(F)c1F)F)c1Br
InChIKey	InChI=1S/C7H4Br2F3NO/c1-14-13-7-2(8)4(10)6(12)5(11)3(7)9/h13H,1H3
InChI	JAUFSHNAGXIUQJ-UHFFFAOYSA-N

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2,6 Dibromo Trifluoro Methoxy Aniline