Chem 1 Chloroethyl Isopropyl Carbonate Pacific

Compound 108
  CheckMol                        TMF02:r0:m0
MF=C6H11ClO3 MW=166.60
 10  9  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4829   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3181   -2.2244   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2711   -2.2244   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6245   -1.4711   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6363    0.0353   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9309   -2.2126   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2373   -1.4594   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2491    0.0471   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5437   -2.2008   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END

1-Chloroethyl Isopropyl Carbonate

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Chemical Name - 1-Chloroethyl Isopropyl Carbonate
Mol Weight - 166.603
Smiles - CC(C)OC(OC(C)Cl)=O

Property Name	Property Value
Mol Name	1-Chloroethyl Isopropyl Carbonate
Molweight	166.603
Monoisotopic Mass	166.039672
Clogp	1.799
Clogs	-2.419
H Acceptors	3
Total Surface Area	128.45
Relative Psa	0.25722
Polar Surface Area	35.53
Druglikeness	-8.1522
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.39432
Molecular Complexity	0.59947
Fragments	1
Non H Atoms	10
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	1
Rotatable Bonds	4
Sp3 Atoms	7
Symmetric Atoms	1
Smiles	CC(C)OC(OC(C)Cl)=O
InChIKey	InChI=1S/C6H11ClO3/c1-4(2)9-6(8)10-5(3)7/h4-5H,1-3H3
InChI	XPTPAIJDVFQPJT-UHFFFAOYSA-N

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1 - 1-Chloroethyl Isopropyl Carbonate
2 - 1-Chloroethyl Isopropyl Carbonate

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1-Chloroethyl Isopropyl Carbonate