| CAS Number | 1203499-62-0 |
| Catalog Number | AG00HFEU(AGN-PC-0WAO2X) |
| Chemical Name | 3-(4-Chloropyridin-3-yl)prop-2-yn-1-ol |
| IUPAC Name | 3-(4-chloropyridin-3-yl)prop-2-yn-1-ol |
| InChI | InChI=1S/C8H6ClNO/c9-8-3-4-10-6-7(8)2-1-5-11/h3-4,6,11H,5H2 |
| InChI Key | MBJUURQWRLDNBQ-UHFFFAOYSA-N |
| MDL Number | MFCD13176636 |
| Molecular Formula | C8H6ClNO |
| Molecular Weight | 167.5923 |
| SMILES | OCC#Cc1cnccc1Cl |
| Synonyms | 3-(4-Chloropyridin-3-yl)prop-2-yn-1-ol,
1203499-62-0,
AC1Q7BGH,
CTK8A1019,
DTXSID30673569,
0929AD,
MFCD13176636,
ZINC39961277,
AKOS006335893,
AJ-101500,
TR-070600,
2-Propyn-1-ol, 3-(4-chloro-3-pyridinyl)-,
K-1444,
3-(4-Chloropyridin-3-yl)prop-2-yn-1-ol, AldrichCPR,
C8H6ClNO,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.592g/mol |
| Monoisotopic Mass | 167.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number