| CAS Number | 1247796-74-2 |
| Catalog Number | AG01AJB0(AGN-PC-0WO7FT) |
| Chemical Name | 3-Bromo-2-(pentyloxy)pyridine |
| IUPAC Name | 3-bromo-2-pentoxypyridine |
| InChI | InChI=1S/C10H14BrNO/c1-2-3-4-8-13-10-9(11)6-5-7-12-10/h5-7H,2-4,8H2,1H3 |
| InChI Key | HEISFCBCEGNSQR-UHFFFAOYSA-N |
| MDL Number | MFCD14651795 |
| Molecular Formula | C10H14BrNO |
| Molecular Weight | 244.1283 |
| SMILES | CCCCCOC1=C(Br)C=CC=N1 |
| Synonyms | 3-bromo-2-(pentyloxy)pyridine,
1247796-74-2,
SCHEMBL3381282,
ZINC42376462,
AKOS010633068,
MCULE-2849378572,
NE15816,
EN300-80235,
Z1250132479,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.02588g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.13g/mol |
| Monoisotopic Mass | 243.02588g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 22.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number