| CAS Number | 214283-19-9 |
| Catalog Number | AG00I452(AGN-PC-00PID9) |
| Chemical Name | (4-bromo-2,3-dichlorophenyl)(methyl)sulfane |
| IUPAC Name | 1-bromo-2,3-dichloro-4-methylsulfanylbenzene |
| InChI | InChI=1S/C7H5BrCl2S/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3 |
| InChI Key | YKUWFLWEYWBCKA-UHFFFAOYSA-N |
| MDL Number | MFCD27936858 |
| Molecular Formula | C7H5BrCl2S |
| Molecular Weight | 271.9896 |
| SMILES | BrC1=C(C(=C(C=C1)SC)Cl)Cl |
| Synonyms | 4-Bromo-2,3-dichlorothioanisole,
214283-19-9,
(4-Bromo-2,3-dichlorophenyl)(methyl)sulfane,
SCHEMBL6242687,
ZINC34575137,
4-Bromo-2,3-dichlorophenyl(methyl) sulfide,
Benzene, 1-bromo-2,3-dichloro-4-(methylthio)-,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.981g/mol |
| Monoisotopic Mass | 269.867g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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