| CAS Number | 1022128-98-8 |
| Catalog Number | AG0006XT(AGN-PC-07B7BB) |
| Chemical Name | 3-(5-Bromopyridin-3-yl)propanoic acid |
| IUPAC Name | 3-(5-bromopyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C8H8BrNO2/c9-7-3-6(4-10-5-7)1-2-8(11)12/h3-5H,1-2H2,(H,11,12) |
| InChI Key | MZIRJKCDGHPTMM-UHFFFAOYSA-N |
| MDL Number | MFCD11042449 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | C1=C(C=NC=C1Br)CCC(=O)O |
| Synonyms | 3-(5-bromopyridin-3-yl)propanoic acid,
1022128-98-8,
3-Pyridinepropanoic acid, 5-bromo-,
SCHEMBL1475664,
CTK0G9294,
5-Bromo-3-pyridinepropanoic acid,
DTXSID60669753,
3-Pyridinepropanoicacid, 5-bromo-,
MFCD11042449,
ZINC39326021,
AKOS024099346,
MCULE-6729572879,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number