| CAS Number | 740806-63-7 |
| Catalog Number | AG01BKK6(AGN-PC-08XZ66) |
| Chemical Name | 5-Bromo-2-chlorobenzenethiol |
| IUPAC Name | 5-bromo-2-chlorobenzenethiol |
| InChI | InChI=1S/C6H4BrClS/c7-4-1-2-5(8)6(9)3-4/h1-3,9H |
| InChI Key | GZYHPKOEBMNDFS-UHFFFAOYSA-N |
| MDL Number | MFCD12026192 |
| Molecular Formula | C6H4BrClS |
| Molecular Weight | 223.5180 |
| SMILES | SC1=C(Cl)C=CC(Br)=C1 |
| Synonyms | 5-Bromo-2-chlorobenzenethiol,
740806-63-7,
C6H4BrClS,
SCHEMBL1392809,
GZYHPKOEBMNDFS-UHFFFAOYSA-N,
ZINC36533066,
Y1709,
|
| Complexity | 99.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.891g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.512g/mol |
| Monoisotopic Mass | 221.891g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number