CAS
1126-71-2 Purity
96%
1126-71-2 Purity
96%
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Specification
The molecular formula is C6H3Br2Cl2N.
The molecular weight is 319.81 g/mol.
The IUPAC name is 4,6-dibromo-2,3-dichloroaniline.
The InChI is InChI=1S/C6H3Br2Cl2N/c7-2-1-3(8)6(11)5(10)4(2)9/h1H,11H2.
The InChIKey is IPWGDMQXLGFBLC-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C(=C(C(=C1Br)Cl)Cl)N)Br.
The CAS number is 113571-15-6.
The ChEMBL ID is CHEMBL4961279.
The hydrogen bond donor count is 1.
Yes, it is a canonicalized compound.