7835
  -OEChem-03261011592D

 10 10  0     1  0  0  0  0  0999 V2000
    2.0000   -0.1830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2321    0.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.1830    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7321   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310    0.4180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397   -0.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7835

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
37.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAIAAEAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgIAAAAACBeggEIAAAAABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(chloromethyl)oxirane

> <PUBCHEM_IUPAC_CAS_NAME>
2-(chloromethyl)oxirane

> <PUBCHEM_IUPAC_NAME>
2-(chloromethyl)oxirane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(chloromethyl)oxirane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(chloromethyl)oxirane

> <PUBCHEM_NIST_INCHI>
InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2

> <PUBCHEM_NIST_INCHIKEY>
BRLQWZUYTZBJKN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.5

> <PUBCHEM_EXACT_MASS>
92.002892

> <PUBCHEM_MOLECULAR_FORMULA>
C3H5ClO

> <PUBCHEM_MOLECULAR_WEIGHT>
92.5242

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(O1)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(O1)CCl

> <PUBCHEM_CACTVS_TPSA>
12.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
92.002892

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
3  6  3

$$$$