| CAS Number | 1609403-17-9 |
| Catalog Number | AG001VIV(AGN-PC-0WRAQ9) |
| Chemical Name | 2-(5-bromo-3-pyridinyl)-2-propanol hydrochloride |
| IUPAC Name | 2-(5-bromopyridin-3-yl)propan-2-ol;hydrochloride |
| InChI | InChI=1S/C8H10BrNO.ClH/c1-8(2,11)6-3-7(9)5-10-4-6;/h3-5,11H,1-2H3;1H |
| InChI Key | QMPSSJSPSDFTEM-UHFFFAOYSA-N |
| MDL Number | MFCD28024784 |
| Molecular Formula | C8H11BrClNO |
| Molecular Weight | 252.5360 |
| SMILES | C1(C=NC=C(Br)C=1)C(C)(C)O.Cl |
| Synonyms | 1609403-17-9,
2-(5-bromo-3-pyridinyl)-2-propanol hydrochloride,
2-(5-BROMOPYRIDIN-3-YL)PROPAN-2-OL HYDROCHLORIDE,
ZX-CM010501,
MFCD28024784,
AKOS030631166,
3-Pyridinemethanol, 5-bromo-alpha,alpha-dimethyl-, hydrochloride (1:1),
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.536g/mol |
| Monoisotopic Mass | 250.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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