| CAS Number | 111770-82-2 |
| Catalog Number | AG01B4V6(AGN-PC-0000E0) |
| Chemical Name | 3-(5-Bromopyridin-2-yl)prop-2-yn-1-ol |
| IUPAC Name | 3-(5-bromopyridin-2-yl)prop-2-yn-1-ol |
| InChI | InChI=1S/C8H6BrNO/c9-7-3-4-8(10-6-7)2-1-5-11/h3-4,6,11H,5H2 |
| InChI Key | HDNAKCCUGDNOSZ-UHFFFAOYSA-N |
| MDL Number | MFCD09836528 |
| Molecular Formula | C8H6BrNO |
| Molecular Weight | 212.0433 |
| SMILES | OCC#CC1=NC=C(Br)C=C1 |
| Synonyms | 3-(5-bromopyridin-2-yl)prop-2-yn-1-ol,
111770-82-2,
3-(5-bromo-2-pyridinyl)-2-propyn-1-ol,
3-(5-bromo-pyridin-2-yl)-prop-2-yn-1-ol,
SCHEMBL4521816,
HDNAKCCUGDNOSZ-UHFFFAOYSA-,
HDNAKCCUGDNOSZ-UHFFFAOYSA-N,
ZINC34200520,
AKOS005067836,
Z2515238980,
InChI=1/C8H6BrNO/c9-7-3-4-8(10-6-7)2-1-5-11/h3-4,6,11H,5H2,
2-(5-bromopyridin-2-yl)-prop-2-yn-1-ol,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.046g/mol |
| Monoisotopic Mass | 210.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number