| CAS Number | 1138443-86-3 |
| Catalog Number | AG008XFX(AGN-PC-0WANY2) |
| Chemical Name | 5-Bromo-2-(dimethoxymethyl)-3-methoxypyridine |
| IUPAC Name | 5-bromo-2-(dimethoxymethyl)-3-methoxypyridine |
| InChI | InChI=1S/C9H12BrNO3/c1-12-7-4-6(10)5-11-8(7)9(13-2)14-3/h4-5,9H,1-3H3 |
| InChI Key | YOIJJDCAWUXHRJ-UHFFFAOYSA-N |
| MDL Number | MFCD11857654 |
| Molecular Formula | C9H12BrNO3 |
| Molecular Weight | 262.1005 |
| SMILES | COC(c1ncc(cc1OC)Br)OC |
| Synonyms | 5-Bromo-2-(dimethoxymethyl)-3-methoxypyridine,
1138443-86-3,
Q-103388,
AC1Q44IV,
SCHEMBL2067866,
CTK6J3285,
DTXSID70673841,
YOIJJDCAWUXHRJ-UHFFFAOYSA-N,
MFCD11857654,
ZINC35270393,
AKOS015834435,
TR-057508,
FT-0723230,
5-bromo-2-dimethoxymethyl-3-methoxy-pyridine,
A-5973,
5-Bromo-2-(dimethoxymethyl)-3-methoxypyridine, AldrichCPR,
5-bromo-3-(dibromomethyl)-2-methoxypyridine,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.103g/mol |
| Monoisotopic Mass | 261g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number