| CAS Number | 220901-47-3 |
| Catalog Number | AG01AV2A(AGN-PC-0BTSV4) |
| Chemical Name | 2-(1,1-Dimethylethyl)-4-fluoro-5-methylphenol |
| IUPAC Name | 2-tert-butyl-4-fluoro-5-methylphenol |
| InChI | InChI=1S/C11H15FO/c1-7-5-10(13)8(6-9(7)12)11(2,3)4/h5-6,13H,1-4H3 |
| InChI Key | QIAJAPAPIQKNDQ-UHFFFAOYSA-N |
| MDL Number | MFCD24713798 |
| Molecular Formula | C11H15FO |
| Molecular Weight | 182.2346 |
| SMILES | OC1=CC(C)=C(F)C=C1C(C)(C)C |
| Synonyms | 2-tert-butyl-4-fluoro-5-methylphenol,
220901-47-3,
Phenol, 2-(1,1-dimethylethyl)-4-fluoro-5-methyl-,
SCHEMBL2790260,
QIAJAPAPIQKNDQ-UHFFFAOYSA-N,
ZINC95942535,
AKOS033584783,
MCULE-5489507213,
NE36918,
Z1770192880,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.238g/mol |
| Monoisotopic Mass | 182.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number