| CAS Number | 212961-33-6 |
| Catalog Number | AG01DW83(AGN-PC-040WO7) |
| Chemical Name | 3-[(5-bromopyridin-2-yl)oxy]propan-1-ol |
| IUPAC Name | 3-(5-bromopyridin-2-yl)oxypropan-1-ol |
| InChI | InChI=1S/C8H10BrNO2/c9-7-2-3-8(10-6-7)12-5-1-4-11/h2-3,6,11H,1,4-5H2 |
| InChI Key | ZGYSXQAWRWCIMF-UHFFFAOYSA-N |
| MDL Number | MFCD14652152 |
| Molecular Formula | C8H10BrNO2 |
| Molecular Weight | 232.0745 |
| SMILES | OCCCOC1=NC=C(Br)C=C1 |
| Synonyms | 3-((5-bromopyridin-2-yl)oxy)propan-1-ol,
212961-33-6,
1-Propanol, 3-[(5-bromo-2-pyridinyl)oxy]-,
SCHEMBL2468915,
ZGYSXQAWRWCIMF-UHFFFAOYSA-N,
AKOS010633337,
3-(5-Bromopyridin-2-yloxy)propan-1-ol,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.077g/mol |
| Monoisotopic Mass | 230.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Lot Number