Chem 23 Dichloro Benzoyl Cyanide

Compound 16
  CheckMol                        TMF02:r0:m0
MF=C8H3Cl2NO MW=200.02
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3084   -0.7426   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3202   -2.2279   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6169    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354   -2.9705   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6287   -2.9587   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6287    1.5324   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9253   -0.7073   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9371   -2.2043   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9371    2.2986   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3438    2.2868   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589    3.0412   -0.0000 N   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 02  0  1  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  3  0  0  0  0
  8  9 01  0  1  0  0
M  END

2,3-Dichloro Benzoyl Cyanide

₹ 0.00 0.00

Chemical Name - 2,3-Dichloro Benzoyl Cyanide
Mol Weight - 200.024
Smiles - N#CC(c1cccc(Cl)c1Cl)=O

Property Name	Property Value
Mol Name	2,3-Dichloro Benzoyl Cyanide
Molweight	200.024
Monoisotopic Mass	198.959168
Clogp	1.9884
Clogs	-3.92
H Acceptors	2
Total Surface Area	143.56
Relative Psa	0.18529
Polar Surface Area	40.86
Druglikeness	-4.9438
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.37337
Molecular Complexity	0.69828
Fragments	1
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Smiles	N#CC(c1cccc(Cl)c1Cl)=O
InChIKey	InChI=1S/C8H3Cl2NO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H
InChI	FIBBFBXFASKAON-UHFFFAOYSA-N

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2,3-Dichloro Benzoyl Cyanide