| CAS Number | 2107-40-6 |
| Catalog Number | AG00I412(AGN-PC-0WOHDD) |
| Chemical Name | 1-(3-fluorophenyl)prop-2-yn-1-ol |
| IUPAC Name | 1-(3-fluorophenyl)prop-2-yn-1-ol |
| InChI | InChI=1S/C9H7FO/c1-2-9(11)7-4-3-5-8(10)6-7/h1,3-6,9,11H |
| InChI Key | ZVCCBLHUZGVITQ-UHFFFAOYSA-N |
| MDL Number | MFCD21143266 |
| Molecular Formula | C9H7FO |
| Molecular Weight | 150.1497 |
| SMILES | FC=1C=C(C=CC1)C(C#C)O |
| Synonyms | 1-(3-fluorophenyl)prop-2-yn-1-ol,
2107-40-6,
1-(3-Fluorophenyl)-2-propyn-1-ol,
SCHEMBL10837272,
CTK8H3143,
MFCD21143266,
AKOS014245929,
AS-41190,
SY045264,
MFCD21143266 (95%),
|
| Complexity | 170 |
| 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
Certificate of Analysis
Lot Number