| CAS Number | 354138-68-4 |
| Catalog Number | AG00I714(AGN-PC-0WD4LJ) |
| Chemical Name | 1-(Bromomethyl)-2-chloro-3-methoxybenzene |
| IUPAC Name | 1-(bromomethyl)-2-chloro-3-methoxybenzene |
| InChI | InChI=1S/C8H8BrClO/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4H,5H2,1H3 |
| InChI Key | FWDCBEXSSVMZBH-UHFFFAOYSA-N |
| MDL Number | MFCD18393577 |
| Molecular Formula | C8H8BrClO |
| Molecular Weight | 235.5055 |
| SMILES | COC1=C(Cl)C(CBr)=CC=C1 |
| Synonyms | 1-(Bromomethyl)-2-chloro-3-methoxybenzene,
354138-68-4,
2-Chloro-3-methoxybenzyl bromide,
ZINC95930637,
AJ-136495,
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| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.505g/mol |
| Monoisotopic Mass | 233.945g/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 |
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Certificate of Analysis
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