| CAS Number | 3798-61-6 |
| Catalog Number | AG01BFGK(AGN-PC-0RF47X) |
| Chemical Name | 1-(4-Fluorophenyl)prop-2-yn-1-ol |
| IUPAC Name | 1-(4-fluorophenyl)prop-2-yn-1-ol |
| InChI | InChI=1S/C9H7FO/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6,9,11H |
| InChI Key | JZJFKHHTWIWOOH-UHFFFAOYSA-N |
| MDL Number | MFCD21143261 |
| Molecular Formula | C9H7FO |
| Molecular Weight | 150.1497 |
| SMILES | OC(C1=CC=C(F)C=C1)C#C |
| Synonyms | 1-(4-fluorophenyl)prop-2-yn-1-ol,
3798-61-6,
1-(4-fluorophenyl)-2-propyn-1-ol,
SCHEMBL132554,
JZJFKHHTWIWOOH-UHFFFAOYSA-N,
4-Fluoro-alpha-ethynylbenzyl alcohol,
MFCD21143261,
AKOS014245512,
1-(4-Fluoro-phenyl)-prop-2-yn-1-ol,
1-hydroxy-1-(p-fluorophenyl)-2-propyne,
3-(p-fluorophenyl)-3-hydroxy-1-propyne,
SY045245,
CS-0047272,
MFCD21143261 (95%),
CID11275105,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.152g/mol |
| Monoisotopic Mass | 150.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number