| CAS Number | 1370025-62-9 |
| Catalog Number | AG01C003 |
| Chemical Name | 4-Bromo-1-fluoro-2-methylsulfanylbenzene |
| IUPAC Name | 4-bromo-1-fluoro-2-methylsulfanylbenzene |
| InChI | InChI=1S/C7H6BrFS/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3 |
| InChI Key | ZRLZHBBCORWTHN-UHFFFAOYSA-N |
| MDL Number | MFCD22056774 |
| Molecular Formula | C7H6BrFS |
| Molecular Weight | 221.0899 |
| SMILES | BrC1=CC(=C(C=C1)F)SC |
| Synonyms | 5-Bromo-2-fluorothioanisole,
1370025-62-9,
(5-bromo-2-fluorophenyl)(methyl)sulfane,
4-Bromo-1-fluoro-2-(methylsulfanyl)benzene,
SCHEMBL18084500,
MFCD22056774,
ZINC90413206,
AKOS032958237,
Z0154,
Q-8388,
C7H6BrFS,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.087g/mol |
| Monoisotopic Mass | 219.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number