| CAS Number | 401-76-3 |
| Catalog Number | AG00CLTZ(AGN-PC-0RM6FH) |
| Chemical Name | 2-(3-Fluorophenyl)propan-2-ol |
| IUPAC Name | 2-(3-fluorophenyl)propan-2-ol |
| InChI | InChI=1S/C9H11FO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,1-2H3 |
| InChI Key | HJYNFYSNULPWRA-UHFFFAOYSA-N |
| MDL Number | MFCD11870100 |
| Molecular Formula | C9H11FO |
| Molecular Weight | 154.1814 |
| NSC Number | 232435 |
| SMILES | CC(C1=CC(F)=CC=C1)(O)C |
| Synonyms | 2-(3-fluorophenyl)propan-2-ol,
401-76-3,
2-(3-Fluorophenyl)-2-propanol,
NSC232435,
AC1L7PUD,
DTXSID50310828,
ZINC1760200,
AKOS009996437,
NSC-232435,
V5757,
K-8591,
C9H11FO,
CID314548,
ACN-042010,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.184g/mol |
| Monoisotopic Mass | 154.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number