| CAS Number | 942473-86-1 |
| Catalog Number | AG00II01(AGN-PC-0WBRAL) |
| Chemical Name | 4-Bromo-3-fluorothiophenol |
| IUPAC Name | 4-bromo-3-fluorobenzenethiol |
| InChI | InChI=1S/C6H4BrFS/c7-5-2-1-4(9)3-6(5)8/h1-3,9H |
| InChI Key | QWSUMJXRROQYPN-UHFFFAOYSA-N |
| MDL Number | MFCD09475476 |
| Molecular Formula | C6H4BrFS |
| Molecular Weight | 207.0634 |
| SMILES | BrC1=C(C=C(C=C1)S)F |
| Synonyms | 4-Bromo-3-fluorothiophenol,
942473-86-1,
4-bromo-3-fluorobenzenethiol,
4-Bromo-3-fluorobenzene-1-thiol,
4-Bromo-3-fluoro-benzenethiol,
SCHEMBL1920152,
CTK8E4868,
DTXSID30650173,
QWSUMJXRROQYPN-UHFFFAOYSA-N,
MFCD09475476,
ZINC15442774,
AKOS005256456,
AS-43273,
RT-020270,
CS-0045092,
4-bromo-3-fluorobenzene sulphonyl chloride,
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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 | 205.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.06g/mol |
| Monoisotopic Mass | 205.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number