| CAS Number | 749928-52-7 |
| Catalog Number | AG00G7TY |
| Chemical Name | 2-(4-Bromo-2-fluorophenyl)propan-2-ol |
| IUPAC Name | 2-(4-bromo-2-fluorophenyl)propan-2-ol |
| InChI | InChI=1S/C9H10BrFO/c1-9(2,12)7-4-3-6(10)5-8(7)11/h3-5,12H,1-2H3 |
| InChI Key | CCWCTVRHFBDISJ-UHFFFAOYSA-N |
| MDL Number | MFCD22571477 |
| Molecular Formula | C9H10BrFO |
| Molecular Weight | 233.0775 |
| SMILES | CC(C1=C(F)C=C(Br)C=C1)(O)C |
| Synonyms | 2-(4-bromo-2-fluorophenyl)propan-2-ol,
749928-52-7,
Benzenemethanol, 4-bromo-2-fluoro-alpha,alpha-dimethyl-,
SCHEMBL1328840,
CCWCTVRHFBDISJ-UHFFFAOYSA-N,
MFCD22571477,
ZINC96171921,
AKOS024102818,
2-(4-bromo-2-fluoro-phenyl)-propan-2-ol,
2-(4-Bromo-2-fluorophenyl)propan-2-ol, 95%,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.08g/mol |
| Monoisotopic Mass | 231.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number