| CAS Number | 1548539-95-2 |
| Catalog Number | AG01DI74 |
| Chemical Name | 3-(4-Bromo-3-Fluorophenoxy)Propane-1,2-Diol |
| IUPAC Name | 3-(4-bromo-3-fluorophenoxy)propane-1,2-diol |
| InChI | InChI=1S/C9H10BrFO3/c10-8-2-1-7(3-9(8)11)14-5-6(13)4-12/h1-3,6,12-13H,4-5H2 |
| InChI Key | XWZTUZDJUDJUOB-UHFFFAOYSA-N |
| MDL Number | MFCD24315996 |
| Molecular Formula | C9H10BrFO3 |
| Molecular Weight | 265.0763 |
| SMILES | OCC(O)COc1ccc(Br)c(F)c1 |
| Synonyms | 3-(4-BROMO-3-FLUOROPHENOXY)PROPANE-1,2-DIOL,
1548539-95-2,
MFCD24315996,
AKOS021168417,
CS-0039386,
N/A,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.078g/mol |
| Monoisotopic Mass | 263.98g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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