| CAS Number | 1069115-10-1 |
| Catalog Number | AG00HAW3(AGN-PC-0WR339) |
| Chemical Name | Ethyl 2-(3-bromopyridin-4-yl)-2-methylpropanoate |
| IUPAC Name | ethyl 2-(3-bromopyridin-4-yl)-2-methylpropanoate |
| InChI | InChI=1S/C11H14BrNO2/c1-4-15-10(14)11(2,3)8-5-6-13-7-9(8)12/h5-7H,4H2,1-3H3 |
| InChI Key | OAVCXRPYQAPPOP-UHFFFAOYSA-N |
| MDL Number | MFCD12540730 |
| Molecular Formula | C11H14BrNO2 |
| Molecular Weight | 272.1384 |
| SMILES | BrC=1C=NC=CC1C(C(=O)OCC)(C)C |
| Synonyms | 1069115-10-1,
Ethyl 2-(3-bromopyridin-4-yl)-2-methylpropanoate,
4-Pyridineacetic acid, 3-bromo-alpha,alpha-dimethyl-, ethyl ester,
SCHEMBL16485890,
OAVCXRPYQAPPOP-UHFFFAOYSA-N,
MFCD25372692,
ZINC96032036,
AKOS027255545,
3-Bromo-alpha,alpha-dimethyl-4-pyridineacetic acid ethyl ester,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.142g/mol |
| Monoisotopic Mass | 271.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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