Chem 2 4 Chloro Phenyl 3 Methyl Butyryl Chloride Bcipl

Compound 64
  CheckMol                        TMF02:r0:m0
MF=C11H12Cl2O MW=231.12
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5058   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2705    2.2586   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3175    2.2704   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2587    3.7644   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3293    3.7761   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5290   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0588    6.0348   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234    6.7876   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3646    6.7876   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    8.2934   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5057    6.0583   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3764    8.2934   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6704    6.0583   -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 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
  6  7 01  0  1  0  0
M  END

2-(4-Chloro Phenyl )-3-Methyl Butyryl Chloride

₹ 0.00 0.00

Chemical Name - 2-(4-Chloro Phenyl )-3-Methyl Butyryl Chloride
Mol Weight - 231.121
Smiles - CC(C)C(C(Cl)=O)c(cc1)ccc1Cl
InChI - BWPYAVCZZUTOBY-UHFFFAOYSA-N
InChIKey - InChI=1S/C11H12Cl2O/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3

Property Name	Property Value
Mol Name	2-(4-Chloro Phenyl )-3-Methyl Butyryl Chloride
Molweight	231.121
Monoisotopic Mass	230.026519
Clogp	3.2309
Clogs	-3.204
H Acceptors	1
Total Surface Area	171.37
Relative Psa	0.076093
Polar Surface Area	17.07
Druglikeness	-9.9097
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.57143
Molecular Flexibility	0.5544
Molecular Complexity	0.60693
Fragments	1
Non H Atoms	14
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	3
Smiles	CC(C)C(C(Cl)=O)c(cc1)ccc1Cl
InChIKey	InChI=1S/C11H12Cl2O/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3
InChI	BWPYAVCZZUTOBY-UHFFFAOYSA-N

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1 - 2-(4-Chloro Phenyl )-3-Methyl Butyryl Chloride
2 - 2-(4-Chloro Phenyl )-3-Methyl Butyryl Chloride

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2-(4-Chloro Phenyl )-3-Methyl Butyryl Chloride