| CAS Number | 954235-88-2 |
| Catalog Number | AG006DE6(AGN-PC-0W51GO) |
| Chemical Name | 4-BROMO-2-DIFLUOROMETHOXY-1-METHYL-BENZENE |
| IUPAC Name | 4-bromo-2-(difluoromethoxy)-1-methylbenzene |
| InChI | InChI=1S/C8H7BrF2O/c1-5-2-3-6(9)4-7(5)12-8(10)11/h2-4,8H,1H3 |
| InChI Key | AAYODEGIJDRGHY-UHFFFAOYSA-N |
| MDL Number | MFCD11036071 |
| Molecular Formula | C8H7BrF2O |
| Molecular Weight | 237.0414 |
| SMILES | c1(c(ccc(c1)Br)C)OC(F)F |
| Synonyms | 954235-88-2,
4-bromo-2-(difluoromethoxy)-1-methylbenzene,
4-BROMO-2-DIFLUOROMETHOXY-1-METHYL-BENZENE,
SCHEMBL10203281,
CTK5H7734,
DTXSID40669670,
4-Bromo-2-(difluoromethoxy)toluene,
MFCD11036071,
A1-07831,
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| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.044g/mol |
| Monoisotopic Mass | 235.965g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
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