<?xml version="1.0" encoding="UTF-8"?>
<molecule xmlns="http://www.xml-cml.org/schema"
          xmlns:cml="http://www.xml-cml.org/dict/cml"
          xmlns:units="http://www.xml-cml.org/units/units"
          xmlns:xsd="http://www.w3c.org/2001/XMLSchema"
          xmlns:iupac="http://www.iupac.org"
          id="CS_chloroethane">
  <formula concise=" C 2 H 5 Cl 1 "/>
  <identifier convention="iupac:inchi" value="1/C2H5Cl/c1-2-3/h2H2,1H3"/>
  <name convention="IUPAC">Chloroethane</name>
  <atomArray>
    <atom id="a1" elementType="C" x3="0.643099" y3="0.442763" z3="-0.036588"/>
    <atom id="a2" elementType="C" x3="-0.494506" y3="-0.535017" z3="0.046131"/>
    <atom id="a3" elementType="Cl" x3="-2.034545" y3="0.357320" z3="-0.046138"/>
    <atom id="a4" elementType="H" x3="0.621911" y3="1.008302" z3="-0.977339"/>
    <atom id="a5" elementType="H" x3="0.609948" y3="1.171512" z3="0.783871"/>
    <atom id="a6" elementType="H" x3="-0.483875" y3="-1.104215" z3="0.991948"/>
    <atom id="a7" elementType="H" x3="-0.472307" y3="-1.267280" z3="-0.779659"/>
    <atom id="a8" elementType="H" x3="1.610275" y3="-0.073385" z3="0.017774"/>
  </atomArray>
  <bondArray>
    <bond atomRefs2="a1 a2" order="1"/>
    <bond atomRefs2="a2 a3" order="1"/>
    <bond atomRefs2="a1 a4" order="1"/>
    <bond atomRefs2="a1 a5" order="1"/>
    <bond atomRefs2="a2 a6" order="1"/>
    <bond atomRefs2="a2 a7" order="1"/>
    <bond atomRefs2="a1 a8" order="1"/>
  </bondArray>
  <propertyList>
    <property dictRef="cml:molwt" title="Molecular weight">
      <scalar dataType="xsd:double" dictRef="cml:molwt" units="units:g">64.5141</scalar>
    </property>
    <property dictRef="cml:monoisotopicwt" title="Monoisotopic weight">
      <scalar dataType="xsd:double" dictRef="cml:monoisotopicwt" units="units:g">64.0079778</scalar>
    </property>
    <property dictRef="cml:mp" title="Melting point">
      <scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:mp" units="units:celsius">-136</scalar>
    </property>
    <property dictRef="cml:bp" title="Boiling point">
      <scalar dataType="xsd:double" errorValue="1.0" dictRef="cml:bp" units="units:celsius">12</scalar>
    </property>
  </propertyList>
</molecule>
