| CAS Number | 114113-99-4 |
| Catalog Number | AG000ALE(AGN-PC-0NL6UP) |
| Chemical Name | Benzenemethanol, 3,5-dibromo-4-methoxy- |
| IUPAC Name | (3,5-dibromo-4-methoxyphenyl)methanol |
| InChI | InChI=1S/C8H8Br2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4H2,1H3 |
| InChI Key | VCOAUEHHKOSWHO-UHFFFAOYSA-N |
| MDL Number | MFCD12047705 |
| Molecular Formula | C8H8Br2O2 |
| Molecular Weight | 295.9559 |
| SMILES | c1(cc(c(c(c1)Br)OC)Br)CO |
| Synonyms | (3,5-Dibromo-4-methoxyphenyl)methanol,
114113-99-4,
Benzenemethanol, 3,5-dibromo-4-methoxy-,
ACMC-20mjrp,
CTK0C7834,
DTXSID80579688,
MFCD12047705,
ZINC37180206,
3,5-dibromo-4-methoxy benzyl alcohol,
Y3710,
Q-8008,
C8H8Br2O2,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.887g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.958g/mol |
| Monoisotopic Mass | 293.889g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number