| CAS Number | 1239591-03-7 |
| Catalog Number | AG00HHFT(AGN-PC-0WQZXC) |
| Chemical Name | 1-Bromo-3-fluoro-2-methoxy-4-methylbenzene |
| IUPAC Name | 1-bromo-3-fluoro-2-methoxy-4-methylbenzene |
| InChI | InChI=1S/C8H8BrFO/c1-5-3-4-6(9)8(11-2)7(5)10/h3-4H,1-2H3 |
| InChI Key | PQSTUQXJYKRMEM-UHFFFAOYSA-N |
| MDL Number | MFCD19105383 |
| Molecular Formula | C8H8BrFO |
| Molecular Weight | 219.0509 |
| SMILES | BrC1=C(C(=C(C=C1)C)F)OC |
| Synonyms | 1-Bromo-3-fluoro-2-methoxy-4-methylbenzene,
1239591-03-7,
SCHEMBL15257910,
MFCD19105383,
ZINC90411440,
AKOS027282778,
Y3930,
Q-8012,
C8H8BrFO,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.053g/mol |
| Monoisotopic Mass | 217.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number