Mrv0541 12051314562D          

  9  9  0  0  0  0            999 V2000
    2.9548   -1.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9548   -1.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2404   -0.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2404   -2.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5259   -1.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5259   -1.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2404    0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2404   -3.1102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6693   -0.6353    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
M  END
> <ID>
CHEBI:76598

> <NAME>
2-chloro-1,4-phenylenediamine

> <DEFINITION>
A diamine that is 1,4-phenylenediamine substituted at position 2 by a chloro group.

> <STAR>
3

> <SYNONYM>
o-Chloro-p-phenylenediamine; 3-Chloro-4-aminoaniline; 2-Chloro-p-phenylenediamine; 2-Chloro-4-phenylenediamine; 2-Chloro-1,4-diaminobenzene; 2-Chloro-1,4-benzenediamine; 1,4-Diamino-2-chlorobenzene

> <IUPAC_NAME>
2-chlorobenzene-1,4-diamine

> <FORMULA>
C6H7ClN2

> <MASS>
142.58600

> <MONOISOTOPIC_MASS>
142.02978

> <CHARGE>
0

> <SMILES>
Nc1ccc(N)c(Cl)c1

> <INCHI>
InChI=1S/C6H7ClN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2

> <INCHIKEY>
MGLZGLAFFOMWPB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
615-66-7

> <REAXYS_REGISTRY_NUMBER>
2802557

> <CHEMIDPLUS>
615-66-7

> <PUBMED_CITATION>
11683837; 18058049; 6538164; 7273282

$$$$