| CAS Number | 99839-25-5 |
| Catalog Number | AG003W1D(AGN-PC-02PGM0) |
| Chemical Name | 4-Bromo-2-chlorobenzene-1-thiol |
| IUPAC Name | 4-bromo-2-chlorobenzenethiol |
| InChI | InChI=1S/C6H4BrClS/c7-4-1-2-6(9)5(8)3-4/h1-3,9H |
| InChI Key | VZQDBNWKBKWCFJ-UHFFFAOYSA-N |
| MDL Number | MFCD12026136 |
| Molecular Formula | C6H4BrClS |
| Molecular Weight | 223.5180 |
| SMILES | SC1=C(Cl)C=C(Br)C=C1 |
| Synonyms | 4-Bromo-2-chlorobenzenethiol,
Benzenethiol, 4-bromo-2-chloro-,
99839-25-5,
ACMC-20m2zd,
2-chloro-4-bromothiophenol,
SCHEMBL670742,
CTK3G7302,
DTXSID70601285,
4-Bromo-2-chlorobenzene-1-thiol,
VZQDBNWKBKWCFJ-UHFFFAOYSA-N,
ZINC36532991,
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| 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