Chem N Bromo Methyl Phthalimide

Compound 27
  CheckMol                        TMF02:r0:m0
MF=C9H6BrNO2 MW=240.06
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3103   -0.7437   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4756   -2.2193   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6915   -0.1180   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3777   -3.2109   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9512   -2.5144   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.0102    1.3575   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7067   -1.2159   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7185   -3.8011   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2177   -1.2041   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2295   -3.7893   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9866   -5.0878   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9850   -2.4908   -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  1  0  0
  2  4  1  0  1  0  0
  3  5  2  0  0  0  0
  3  6  1  0  1  0  0
  4  7  2  0  0  0  0
  4  8  1  0  1  0  0
  6  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11 02  0  1  0  0
  9 12  1  0  0  0  0
 10 13 02  0  1  0  0
  6  8 02  0  2  0  0
 11 13 01  0  1  0  0
M  END

N-Bromo methyl phthalimide

₹ 0.00 0.00

Chemical Name - N-Bromo methyl phthalimide
Mol Weight - 240.056
Smiles - Cc1cccc(C(N2Br)=O)c1C2=O

Property Name	Property Value
Mol Name	N-Bromo methyl phthalimide
Molweight	240.056
Monoisotopic Mass	238.95819
Clogp	1.4854
Clogs	-2.6
H Acceptors	3
Total Surface Area	136.45
Relative Psa	0.21715
Polar Surface Area	37.38
Druglikeness	0.60619
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.46154
Molecular Complexity	0.73369
Fragments	1
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Smiles	Cc1cccc(C(N2Br)=O)c1C2=O
InChIKey	InChI=1S/C9H6BrNO2/c1-5-3-2-4-6-7(5)9(13)11(10)8(6)12/h2-4H,1H3
InChI	AGZRZKXUPQYEHE-UHFFFAOYSA-N

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N-Bromo methyl phthalimide