| CAS Number | 122488-89-5 |
| Catalog Number | AG0017AP(AGN-PC-00308Z) |
| Chemical Name | 4-(Bromomethyl)-1-methoxy-2-methylbenzene |
| IUPAC Name | 4-(bromomethyl)-1-methoxy-2-methylbenzene |
| InChI | InChI=1S/C9H11BrO/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5H,6H2,1-2H3 |
| InChI Key | LUAPVXVRGYPASS-UHFFFAOYSA-N |
| MDL Number | MFCD12025379 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | COC1=C(C)C=C(CBr)C=C1 |
| Synonyms | 122488-89-5,
Benzene, 4-(bromomethyl)-1-methoxy-2-methyl-,
4-(Bromomethyl)-1-methoxy-2-methylbenzene,
3-methyl-4-methoxybenzyl bromide,
ACMC-20mq2k,
SCHEMBL4159800,
CTK0F7898,
4-(Bromomethyl)-2-methylanisole,
4-methoxy-3-methylbenzyl bromide,
DTXSID30565410,
LUAPVXVRGYPASS-UHFFFAOYSA-N,
ZINC34410120,
AKOS011412840,
4-bromomethyl-1-methoxy-2-methylbenzene,
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| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.09g/mol |
| Monoisotopic Mass | 213.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number