| CAS Number | 70264-73-2 |
| Catalog Number | AG005WLN(AGN-PC-00LGUM) |
| Chemical Name | 1-(bromomethyl)-3-methoxy-2-methylbenzene |
| IUPAC Name | 1-(bromomethyl)-3-methoxy-2-methylbenzene |
| InChI | InChI=1S/C9H11BrO/c1-7-8(6-10)4-3-5-9(7)11-2/h3-5H,6H2,1-2H3 |
| InChI Key | DDMAAZGSYRZHPK-UHFFFAOYSA-N |
| MDL Number | MFCD12025374 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | COC1=C(C)C(CBr)=CC=C1 |
| Synonyms | 70264-73-2,
1-(bromomethyl)-3-methoxy-2-methylbenzene,
Benzene, 1-(bromomethyl)-3-methoxy-2-methyl-,
SCHEMBL6172229,
CTK2H5123,
3-(Bromomethyl)-2-methylanisole,
3-Methoxy-2-methylbenzyl bromide,
DTXSID90527953,
ZINC39423582,
|
| 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
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H335-H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
|
|
UN Code
|
UN 3261
|
Certificate of Analysis
Lot Number