| CAS Number | 1823876-88-5 |
| Catalog Number | AG01FHG2(AGN-PC-3H4APH) |
| Chemical Name | 3-Bromo-6-chlorobenzene-1,2-diamine |
| IUPAC Name | 3-bromo-6-chlorobenzene-1,2-diamine |
| InChI | InChI=1S/C6H6BrClN2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,9-10H2 |
| InChI Key | CMKDPCHKJRWRKB-UHFFFAOYSA-N |
| MDL Number | MFCD28040528 |
| Molecular Formula | C6H6BrClN2 |
| Molecular Weight | 221.4822 |
| SMILES | BrC1=C(C(=C(C=C1)Cl)N)N |
| Synonyms | 3-Bromo-6-chlorobenzene-1,2-diamine,
1823876-88-5,
SCHEMBL20636586,
MFCD28040528,
ZINC97439047,
FCH2569960,
OR400228,
PS-10970,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.482g/mol |
| Monoisotopic Mass | 219.94g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number