Marvin  09270616182D          

  8  8  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  7  4  2  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  5  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <ID>
CHEBI:28618

> <NAME>
1,4-dichlorobenzene

> <DEFINITION>
A dichlorobenzene carrying chloro groups at positions 1 and 4.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:536; CHEBI:18930

> <SYNONYM>
PDCB; paradichlorobenzene; Paradichlorbenzol; PARA; p-Dichlorobenzene; p-Dichlorbenzol; p-chlorophenyl chloride; 1,4-Dichlorobenzene

> <IUPAC_NAME>
1,4-dichlorobenzene

> <FORMULA>
C6H4Cl2

> <MASS>
147.00136

> <MONOISOTOPIC_MASS>
145.96901

> <CHARGE>
0

> <SMILES>
Clc1ccc(Cl)cc1

> <INCHI>
InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H

> <INCHIKEY>
OCJBOOLMMGQPQU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
106-46-7

> <GMELIN_REGISTRY_NUMBER>
49722

> <REAXYS_REGISTRY_NUMBER>
1680023

> <CHEMIDPLUS>
106-46-7

> <KEGG_COMPOUND_ACCESSION>
C07092

> <NIST_CHEMISTRY_WEBBOOK>
106-46-7

> <WIKIPEDIA_ACCESSION>
1,4-Dichlorobenzene

> <PUBMED_CITATION>
10817668; 17750169; 23899931

$$$$