31335
  -OEChem-04182422552D

 17 17  0     0  0  0  0  0  0999 V2000
    4.8479   -1.6739    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.6739    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6723   -1.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    0.3952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -0.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -0.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3633    0.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8649    1.2596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9988    1.3968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8617    0.5307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    0.3668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.4145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -0.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4 11  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
31335

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
231

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjMAAEEAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAAMAAADIiBgAADAAIAAAAIAAEQEAAAAAAAAAAAAAGAAACAQAAAACAUAAAIBSIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-bromo-1-chloro-5,5-dimethyl-imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
3-bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
3-bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-bromanyl-1-chloranyl-5,5-dimethyl-imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-bromo-1-chloro-5,5-dimethyl-hydantoin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
PQRDTUFVDILINV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
239.93012

> <PUBCHEM_MOLECULAR_FORMULA>
C5H6BrClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
241.47

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(=O)N(C(=O)N1Cl)Br)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C(=O)N(C(=O)N1Cl)Br)C

> <PUBCHEM_CACTVS_TPSA>
40.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
239.93012

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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

$$$$