| CAS Number | 701-94-0 |
| Catalog Number | AG005KPV(AGN-PC-0LWTAG) |
| Chemical Name | 2-Bromo-4-(chloromethyl)-1-methoxybenzene |
| IUPAC Name | 2-bromo-4-(chloromethyl)-1-methoxybenzene |
| InChI | InChI=1S/C8H8BrClO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5H2,1H3 |
| InChI Key | LGROUIFCRUBNIJ-UHFFFAOYSA-N |
| MDL Number | MFCD02856712 |
| Molecular Formula | C8H8BrClO |
| Molecular Weight | 235.5055 |
| SMILES | COC1=C(Br)C=C(CCl)C=C1 |
| Synonyms | 2-bromo-4-(chloromethyl)-1-methoxybenzene,
701-94-0,
3-bromo-4-methoxybenzyl chloride,
AC1OFJX6,
AC1Q44LY,
SCHEMBL3785997,
CTK5D1990,
DTXSID90427863,
ZINC4218294,
MFCD02856712,
AKOS009029097,
MCULE-4855549965,
NE59870,
EN300-14422,
ZINC04218294,
CID7130774,
2-BROMO-4- -1-METHOXYBENZENE,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number