| CAS Number | 66916-97-0 |
| Catalog Number | AG00FDKS(AGN-PC-01Z0FJ) |
| Chemical Name | 2-Bromo-4-methoxybenzyl Chloride 75% (+ regioisomers) |
| IUPAC Name | 2-bromo-1-(chloromethyl)-4-methoxybenzene |
| InChI | InChI=1S/C8H8BrClO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,5H2,1H3 |
| InChI Key | ZNHQWIUVDRRBOV-UHFFFAOYSA-N |
| MDL Number | MFCD12150430 |
| Molecular Formula | C8H8BrClO |
| Molecular Weight | 235.5055 |
| SMILES | COc1ccc(CCl)c(Br)c1 |
| Synonyms | 66916-97-0,
2-bromo-1-(chloromethyl)-4-methoxybenzene,
2-Bromo-4-methoxybenzyl Chloride 75% (+ regioisomers),
Benzene, 2-bromo-1-(chloromethyl)-4-methoxy-,
SCHEMBL6804542,
CTK1J4098,
2-Bromo-4-methoxybenzyl chloride,
DTXSID90595233,
ZNHQWIUVDRRBOV-UHFFFAOYSA-N,
3-Bromo-4-(chloromethyl)-anisole,
ZINC22053251,
AKOS010002578,
1-(Chloromethyl)-2-bromo-4-methoxybenzene,
FT-0663762,
2-BROMO-1-(CHLOROMETHYL)-4-METHOXY-BENZENE,
2-Bromo-4-methoxybenzylChloride,
2-Bromo-4-methoxybenzyl Chloride (+ regioisomers),
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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 |
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Certificate of Analysis
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