21004
  -OEChem-04242408412D

  9  8  0     0  0  0  0  0  0999 V2000
    2.0000    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  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
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21004

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
21.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAIAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEgIAAAAAAAAAAMICAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dichloro(methoxy)methane

> <PUBCHEM_IUPAC_CAS_NAME>
dichloro(methoxy)methane

> <PUBCHEM_IUPAC_NAME_MARKUP>
dichloro(methoxy)methane

> <PUBCHEM_IUPAC_NAME>
dichloro(methoxy)methane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(chloranyl)-methoxy-methane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dichloro(methoxy)methane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H4Cl2O/c1-5-2(3)4/h2H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
GRTGGSXWHGKRSB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
113.9639201

> <PUBCHEM_MOLECULAR_FORMULA>
C2H4Cl2O

> <PUBCHEM_MOLECULAR_WEIGHT>
114.96

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC(Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC(Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
9.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
113.9639201

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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

$$$$