Marvin  10030615382D          

 13 14  0  0  0  0            999 V2000
    2.8875    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  3  2  2  0  0  0  0
  7  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  2  0  0  0  0
 13 12  1  0  0  0  0
  8  2  1  0  0  0  0
M  END
> <ID>
CHEBI:27757

> <NAME>
4-chlorobiphenyl

> <DEFINITION>
A monochlorobiphenyl carrying a chloro substituent at position 4.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1805; CHEBI:20336

> <SYNONYM>
p-chlorodiphenyl; p-chlorobiphenyl; 4-Monochloro-biphenyl; 4-chlorodiphenyl; 4-Chlorobiphenyl; 4-Chlorbiphenyl; 1-Chloro-4-phenyl benzene

> <IUPAC_NAME>
4-chloro-1,1'-biphenyl

> <FORMULA>
C12H9Cl

> <MASS>
188.65256

> <MONOISOTOPIC_MASS>
188.03928

> <CHARGE>
0

> <SMILES>
Clc1ccc(cc1)-c1ccccc1

> <INCHI>
InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

> <INCHIKEY>
FPWNLURCHDRMHC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
774966

> <CAS_REGISTRY_NUMBER>
2051-62-9

> <GMELIN_REGISTRY_NUMBER>
131583

> <REAXYS_REGISTRY_NUMBER>
774966

> <CHEMIDPLUS>
2051-62-9

> <KEGG_COMPOUND_ACCESSION>
C06584

> <NIST_CHEMISTRY_WEBBOOK>
2051-62-9

> <PUBMED_CITATION>
23137097; 23250224; 24007621

$$$$