| CAS Number | 1516298-29-5 |
| Catalog Number | AG00HXWA(AGN-PC-0WP1RH) |
| Chemical Name | 1-Bromo-2-(chloromethyl)-3-fluoro-4-methoxybenzene |
| IUPAC Name | 1-bromo-2-(chloromethyl)-3-fluoro-4-methoxybenzene |
| InChI | InChI=1S/C8H7BrClFO/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-3H,4H2,1H3 |
| InChI Key | AGVZIBPTPUDSHV-UHFFFAOYSA-N |
| MDL Number | MFCD28141938 |
| Molecular Formula | C8H7BrClFO |
| Molecular Weight | 253.4960 |
| SMILES | COc1ccc(c(c1F)CCl)Br |
| Synonyms | 1-Bromo-2-(chloromethyl)-3-fluoro-4-methoxybenzene,
1516298-29-5,
SCHEMBL17785316,
ZINC75898765,
AKOS023117326,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.495g/mol |
| Monoisotopic Mass | 251.935g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number