| CAS Number | 1206774-43-7 |
| Catalog Number | AG0091IP(AGN-PC-0WNNNU) |
| Chemical Name | 2-(5-Bromo-2-fluorophenyl)propan-2-ol |
| IUPAC Name | 2-(5-bromo-2-fluorophenyl)propan-2-ol |
| InChI | InChI=1S/C9H10BrFO/c1-9(2,12)7-5-6(10)3-4-8(7)11/h3-5,12H,1-2H3 |
| InChI Key | RUKMQKCIOJEAKN-UHFFFAOYSA-N |
| MDL Number | MFCD23759088 |
| Molecular Formula | C9H10BrFO |
| Molecular Weight | 233.0775 |
| SMILES | c1(c(ccc(c1)Br)F)C(O)(C)C |
| Synonyms | 2-(5-bromo-2-fluorophenyl)propan-2-ol,
1206774-43-7,
SCHEMBL360540,
RUKMQKCIOJEAKN-UHFFFAOYSA-N,
ZINC75845869,
AKOS018301027,
2-(5-Bromo-2-fluoro-phenyl)-propan-2-ol,
|
| 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 |
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Certificate of Analysis
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