| CAS Number | 1323966-35-3 |
| Catalog Number | AG009ILU(AGN-PC-0WAOTM) |
| Chemical Name | 4-Chloro-2-fluoro-3-methoxybenzyl bromide |
| IUPAC Name | 1-(bromomethyl)-4-chloro-2-fluoro-3-methoxybenzene |
| InChI | InChI=1S/C8H7BrClFO/c1-12-8-6(10)3-2-5(4-9)7(8)11/h2-3H,4H2,1H3 |
| InChI Key | PSWKNVCWOPRAMU-UHFFFAOYSA-N |
| MDL Number | MFCD19687182 |
| Molecular Formula | C8H7BrClFO |
| Molecular Weight | 253.4960 |
| SMILES | COC1=C(Cl)C=CC(CBr)=C1F |
| Synonyms | 4-Chloro-2-fluoro-3-methoxybenzyl bromide,
1323966-35-3,
MFCD19687182,
1-(bromomethyl)-4-chloro-2-fluoro-3-methoxybenzene,
SCHEMBL4651909,
ZINC91252047,
AKOS015957219,
FCH1359454,
PS-9976,
PC302571,
|
| 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 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number