Compound 59
  CheckMol                        TMF02:r0:m0
MF=C9H17ClO MW=176.69
 11 10  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2923    0.7588   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2804    2.2763   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5846    0.0119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8769    0.7706   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1692    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4615    0.7825   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7537    0.0356   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0460    0.7943   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3383    0.0474   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0342    2.3119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END

2D Structure

Isononanoyl Chloride

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Chemical Name - Isononanoyl Chloride
Mol Weight - 176.686
Smiles - CC(C)CCCCCC(Cl)=O

Property Name	Property Value
Mol Name	Isononanoyl Chloride
Molweight	176.686
Monoisotopic Mass	176.096792
Clogp	3.0275
Clogs	-2.315
H Acceptors	1
Total Surface Area	152.49
Relative Psa	0.085514
Polar Surface Area	17.07
Druglikeness	-32.887
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.81818
Molecular Flexibility	0.58191
Molecular Complexity	0.38918
Fragments	1
Non H Atoms	11
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	6
Sp3 Atoms	8
Symmetric Atoms	1
Smiles	CC(C)CCCCCC(Cl)=O
InChIKey	InChI=1S/C9H17ClO/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3
InChI	GXIQQLXFFZDGHO-UHFFFAOYSA-N

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1 — Isononanoyl Chloride | 2 — Isononanoyl Chloride