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| IUPAC Name: | 4-chloro-5-nitrobenzene-1,2-diamine |
| Description: | 4-Chloro-5-nitro-1,2-benzenediamine (CAS# 67073-39-6) is used in the preparation of purinone compounds as DNA-PK inhibitors for treating cancer. |
| Molecular Weight: | 187.58 |
| Molecular Formula: | C6H6ClN3O2 |
| Canonical SMILES: | C1=C(C(=CC(=C1[N+](=O)[O-])Cl)N)N |
| InChI: | InChI=1S/C6H6ClN3O2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H,8-9H2 |
| InChI Key: | LOQLMWFVXRZASN-UHFFFAOYSA-N |
| Boiling Point: | 458.9 °C at 760 mmHg |
| Density: | 1.592 g/cm3 |
| LogP: | 3.09820 |
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