| CAS Number | 1234622-99-1 |
| Catalog Number | AG00HHAY(AGN-PC-0WRAA4) |
| Chemical Name | 2-[(3-Bromopyridin-2-yl)amino]ethanol |
| IUPAC Name | 2-[(3-bromopyridin-2-yl)amino]ethanol |
| InChI | InChI=1S/C7H9BrN2O/c8-6-2-1-3-9-7(6)10-4-5-11/h1-3,11H,4-5H2,(H,9,10) |
| InChI Key | CXJLBUBYEVDLGQ-UHFFFAOYSA-N |
| MDL Number | MFCD14651509 |
| Molecular Formula | C7H9BrN2O |
| Molecular Weight | 217.0632 |
| SMILES | BrC=1C(=NC=CC1)NCCO |
| Synonyms | 1234622-99-1,
2-[(3-bromopyridin-2-yl)amino]ethanol,
2-((3-Bromopyridin-2-yl)amino)ethanol,
SCHEMBL18356238,
ZINC42375962,
2-(3-Bromo-2-pyridinylamino)ethanol,
AKOS010632397,
Ethanol, 2-[(3-bromo-2-pyridinyl)amino]-,
2-[(3-bromo-2-pyridinyl)amino]Ethanol,
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| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.066g/mol |
| Monoisotopic Mass | 215.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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