| CAS Number | 1249442-19-0 |
| Catalog Number | AG00A00W(AGN-PC-0WCR4X) |
| Chemical Name | 2-(2-Ethoxyethoxy)-5-bromopyridine |
| IUPAC Name | 5-bromo-2-(2-ethoxyethoxy)pyridine |
| InChI | InChI=1S/C9H12BrNO2/c1-2-12-5-6-13-9-4-3-8(10)7-11-9/h3-4,7H,2,5-6H2,1H3 |
| InChI Key | ZBVGEMXJEOQTAF-UHFFFAOYSA-N |
| MDL Number | MFCD14652079 |
| Molecular Formula | C9H12BrNO2 |
| Molecular Weight | 246.1011 |
| SMILES | C(C)OCCOC1=NC=C(C=C1)Br |
| Synonyms | 2-(2-ethoxyethoxy)-5-bromopyridine,
1249442-19-0,
5-bromo-2-(2-ethoxyethoxy)pyridine,
SCHEMBL9082771,
DTXSID20625577,
MFCD14652079,
ZINC42389195,
AKOS010631462,
QC-3477,
AS-40934,
AB0092284,
FT-0740700,
2-(2-ethoxyethoxy)-5-bromopyridine, 95% - 1G 1g,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.104g/mol |
| Monoisotopic Mass | 245.005g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 31.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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