| CAS Number | 1019108-45-2 |
| Catalog Number | AG0005WV(AGN-PC-0WR0I5) |
| Chemical Name | 2-Bromo-7-fluoro-4-methylbenzothiazole |
| IUPAC Name | 2-bromo-7-fluoro-4-methyl-1,3-benzothiazole |
| InChI | InChI=1S/C8H5BrFNS/c1-4-2-3-5(10)7-6(4)11-8(9)12-7/h2-3H,1H3 |
| InChI Key | LRXXSJHRMSCSGX-UHFFFAOYSA-N |
| MDL Number | MFCD09749155 |
| Molecular Formula | C8H5BrFNS |
| Molecular Weight | 246.0994 |
| SMILES | CC1=C2N=C(Br)SC2=C(F)C=C1 |
| Synonyms | 1019108-45-2,
2-Bromo-7-fluoro-4-methylbenzothiazole,
2-Bromo-7-fluoro-4-methylbenzo[d]thiazole,
2-Bromo-7-fluoro-4-methyl-1,3-benzothiazole,
MFCD09749155,
ZINC11920206,
2-Bromo-7-fluoro-4-methyl-benzothiazole,
AS-47949,
Benzothiazole, 2-bromo-7-fluoro-4-methyl-,
CS-0061211,
Z-9249,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.097g/mol |
| Monoisotopic Mass | 244.931g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number