| CAS Number | 1849315-99-6 |
| Catalog Number | AG01C2SM |
| Chemical Name | (2-Bromo-5-chloro-4-methylphenyl)methanol |
| IUPAC Name | (2-bromo-5-chloro-4-methylphenyl)methanol |
| InChI | InChI=1S/C8H8BrClO/c1-5-2-7(9)6(4-11)3-8(5)10/h2-3,11H,4H2,1H3 |
| InChI Key | DYYBOAXQOAZGEA-UHFFFAOYSA-N |
| MDL Number | MFCD29055123 |
| Molecular Formula | C8H8BrClO |
| Molecular Weight | 235.5055 |
| SMILES | CC1=C(Cl)C=C(CO)C(Br)=C1 |
| Synonyms | (2-bromo-5-chloro-4-methylphenyl)methanol,
1849315-99-6,
SCHEMBL20157706,
AKOS033859215,
ZINC299805239,
Z2301499874,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.505g/mol |
| Monoisotopic Mass | 233.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number