Chem 26 Dichloro Benzyl Chloride Bcipl

Compound 22
  CheckMol                        TMF02:r0:m0
MF=C7H5Cl3 MW=195.48
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2866    0.7672   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2748    2.2781   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5732    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5614    3.0453   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0335   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597    0.8026   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5496    4.5562   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8479    2.3135   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3456    2.3017   -0.0000 Cl  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 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8  1  0  0  0  0
  5  9 02  0  1  0  0
  6 10  1  0  0  0  0
  7  9 01  0  1  0  0
M  END

2,6-Dichloro Benzyl Chloride

₹ 0.00 0.00

Chemical Name - 2,6-Dichloro Benzyl Chloride
Mol Weight - 195.476
Smiles - ClCc(c(Cl)ccc1)c1Cl
InChI - LBOBESSDSGODDD-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H5Cl3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

Property Name	Property Value
Mol Name	2,6-Dichloro Benzyl Chloride
Molweight	195.476
Monoisotopic Mass	193.945681
Clogp	3.4057
Clogs	-4.206
Total Surface Area	133.28
Druglikeness	-2.365
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.26123
Molecular Complexity	0.6868
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	3
Smiles	ClCc(c(Cl)ccc1)c1Cl
InChIKey	InChI=1S/C7H5Cl3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChI	LBOBESSDSGODDD-UHFFFAOYSA-N

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2,6-Dichloro Benzyl Chloride