| CAS Number | 22794-95-2 |
| Catalog Number | AG007NPY(AGN-PC-0NCB64) |
| Chemical Name | BENZENE, 1-BROMO-2,4-DIMETHOXY-3-METHYL- |
| IUPAC Name | 1-bromo-2,4-dimethoxy-3-methylbenzene |
| InChI | InChI=1S/C9H11BrO2/c1-6-8(11-2)5-4-7(10)9(6)12-3/h4-5H,1-3H3 |
| InChI Key | WXHZGDILTIFQDK-UHFFFAOYSA-N |
| MDL Number | MFCD11046750 |
| Molecular Formula | C9H11BrO2 |
| Molecular Weight | 231.0864 |
| SMILES | CC1=C(OC)C(Br)=CC=C1OC |
| Synonyms | 1-bromo-2,4-dimethoxy-3-methylbenzene,
22794-95-2,
3-bromo-2,6-dimethoxytoluene,
1-bromo-2,4-dimethoxy-3-methyl-benzene,
Benzene, 1-bromo-2,4-dimethoxy-3-methyl-,
SCHEMBL147312,
CTK0J6099,
DTXSID20447296,
WXHZGDILTIFQDK-UHFFFAOYSA-N,
ZINC37627897,
AKOS022799991,
FCH1401968,
1,3-Dimethoxy-2-methyl-4-bromobenzene,
B4745,
CID10889743,
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| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.089g/mol |
| Monoisotopic Mass | 229.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number