| CAS Number | 58735-58-3 |
| Catalog Number | AG00IAFY(AGN-PC-00PBXL) |
| Chemical Name | 2-(Bromomethyl)-4-chloro-1-methoxybenzene |
| IUPAC Name | 2-(bromomethyl)-4-chloro-1-methoxybenzene |
| InChI | InChI=1S/C8H8BrClO/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,5H2,1H3 |
| InChI Key | GWOYTRDTYUBKTJ-UHFFFAOYSA-N |
| MDL Number | MFCD11180736 |
| Molecular Formula | C8H8BrClO |
| Molecular Weight | 235.5055 |
| SMILES | COC1=C(CBr)C=C(Cl)C=C1 |
| Synonyms | 2-(Bromomethyl)-4-chloro-1-methoxybenzene,
58735-58-3,
SCHEMBL3212164,
5-chloro-2-methoxybenzyl bromide,
DTXSID40572998,
8712AB,
MFCD11180736,
ZINC34560585,
AKOS009310036,
NE15056,
AJ-89334,
AM804094,
AS-39619,
FT-0757795,
Benzene, 2-(bromomethyl)-4-chloro-1-methoxy-,
2-(Bromomethyl)-4-chloro-1-methoxybenzene, AldrichCPR,
C8H8BrClO,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number