| CAS Number | 907191-65-5 |
| Catalog Number | AG00IG9U(AGN-PC-0WB63U) |
| Chemical Name | methyl 2-(6-bromopyridin-2-yl)acetate |
| IUPAC Name | methyl 2-(6-bromopyridin-2-yl)acetate |
| InChI | InChI=1S/C8H8BrNO2/c1-12-8(11)5-6-3-2-4-7(9)10-6/h2-4H,5H2,1H3 |
| InChI Key | KSTQSTLAWKUGMF-UHFFFAOYSA-N |
| MDL Number | MFCD11045049 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | O=C(OC)CC1=NC(Br)=CC=C1 |
| Synonyms | 907191-65-5,
Methyl 2-(6-bromopyridin-2-yl)acetate,
methyl (6-bromo-2-pyridinyl)acetate,
methyl (6-bromopyridin-2-yl)acetate,
6-Bromo-2-pyridineacetic acid methyl ester,
2-Pyridineacetic acid, 6-bromo-, methyl ester,
SCHEMBL15709960,
DTXSID50856857,
KSTQSTLAWKUGMF-UHFFFAOYSA-N,
ZX-CM010477,
MFCD11045049,
ZINC91241702,
AKOS022174000,
FCH1401915,
SC-14911,
AJ-129209,
AX8259737,
Y-6466,
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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 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number