| CAS Number | 1227578-15-5 |
| Catalog Number | AG000JBX |
| Chemical Name | 2-(2-Bromopyridin-3-yl)acetic acid |
| IUPAC Name | 2-(2-bromopyridin-3-yl)acetic acid |
| InChI | InChI=1S/C7H6BrNO2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H,10,11) |
| InChI Key | PIFJMOYWRSHXBF-UHFFFAOYSA-N |
| MDL Number | MFCD16609336 |
| Molecular Formula | C7H6BrNO2 |
| Molecular Weight | 216.0320 |
| SMILES | O=C(O)CC1=CC=CN=C1Br |
| Synonyms | 2-(2-bromopyridin-3-yl)acetic acid,
1227578-15-5,
3-Pyridineacetic acid, 2-bromo-,
SCHEMBL15845711,
ZINC82969687,
AKOS022925946,
NE53186,
Z1979554505,
(2-Bromo-3-pyridinyl)acetic acid,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.034g/mol |
| Monoisotopic Mass | 214.958g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number