Marvin  03300614212D          

 15 16  0  0  0  0            999 V2000
    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
   -2.8875    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.0000    0.0000 O   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
   -1.6500   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.4288    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  0  0  0  0
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  3  2  1  0  0  0  0
  5  6  2  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  1  0  0  0  0
 15 13  1  0  0  0  0
 11 12  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 13 12  1  0  0  0  0
  9 14  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
> <ID>
CHEBI:34267

> <NAME>
2-chloro-1,1'-biphenyl-4,4'-diol

> <DEFINITION>
A member of the class of hydroxybiphenyls that is biphenyl-4,4'-diol in which the hydrogen at position 2 has been replaced by a chlorine.

> <STAR>
3

> <SYNONYM>
4,4'-dihydroxy-2'-chlorobiphenyl; 2-Chloro-4,4'-biphenyldiol; 2-Chloro-(1,1'-biphenyl)-4,4'-diol

> <IUPAC_NAME>
2-chloro-[1,1'-biphenyl]-4,4'-diol

> <FORMULA>
C12H9ClO2

> <MASS>
220.65136

> <MONOISOTOPIC_MASS>
220.02911

> <CHARGE>
0

> <SMILES>
Oc1ccc(cc1)-c1ccc(O)cc1Cl

> <INCHI>
InChI=1S/C12H9ClO2/c13-12-7-10(15)5-6-11(12)8-1-3-9(14)4-2-8/h1-7,14-15H

> <INCHIKEY>
SDDOUBZCBHJDLO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
56858-70-9

> <REAXYS_REGISTRY_NUMBER>
8685962

> <CHEMIDPLUS>
56858-70-9

> <KEGG_COMPOUND_ACCESSION>
C14191

$$$$