| CAS Number | 1036227-86-7 |
| Catalog Number | AG00HA4I(AGN-PC-0WR38Q) |
| Chemical Name | 3-(6-Bromopyridin-3-yl)propanoic acid |
| IUPAC Name | 3-(6-bromopyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C8H8BrNO2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1,3,5H,2,4H2,(H,11,12) |
| InChI Key | VNZWQWJMCMQTJL-UHFFFAOYSA-N |
| MDL Number | MFCD18259980 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | OC(CCC1=CN=C(Br)C=C1)=O |
| Synonyms | 3-(6-bromopyridin-3-yl)propanoic acid,
1036227-86-7,
SCHEMBL3182301,
VNZWQWJMCMQTJL-UHFFFAOYSA-N,
MFCD18259980,
ZINC79066605,
3-(6-Bromopyridin-3-yl)propionic acid,
3-(6-bromo-pyridin-3-yl)-propionic acid,
FT-0732525,
|
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number