| CAS Number | 1247998-05-5 |
| Catalog Number | AG01AJUD |
| Chemical Name | 1-(2,4-difluorophenyl)propan-1-ol |
| IUPAC Name | 1-(2,4-difluorophenyl)propan-1-ol |
| InChI | InChI=1S/C9H10F2O/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5,9,12H,2H2,1H3 |
| InChI Key | IHJKITUOKIDLEG-UHFFFAOYSA-N |
| MDL Number | MFCD12787299 |
| Molecular Formula | C9H10F2O |
| Molecular Weight | 172.1719 |
| SMILES | CCC(C1=C(F)C=C(F)C=C1)O |
| Synonyms | 1-(2,4-difluorophenyl)propan-1-ol,
1247998-05-5,
AKOS010320673,
MCULE-4253076563,
NE23340,
EN300-81937,
Z1250132463,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.175g/mol |
| Monoisotopic Mass | 172.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number