| CAS Number | 1354021-08-1 |
| Catalog Number | AG009YRQ(AGN-PC-0WQUGT) |
| Chemical Name | Methyl 2-(4-bromopyridin-2-yl)acetate |
| IUPAC Name | methyl 2-(4-bromopyridin-2-yl)acetate |
| InChI | InChI=1S/C8H8BrNO2/c1-12-8(11)5-7-4-6(9)2-3-10-7/h2-4H,5H2,1H3 |
| InChI Key | URIFFMIHLPERQQ-UHFFFAOYSA-N |
| MDL Number | MFCD21025848 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | O=C(OC)CC1=NC=CC(Br)=C1 |
| Synonyms | methyl 2-(4-bromopyridin-2-yl)acetate,
1354021-08-1,
SCHEMBL15709888,
URIFFMIHLPERQQ-UHFFFAOYSA-N,
ZINC96032759,
AKOS023833068,
FCH1607132,
SC-83323,
AX8324436,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number