| CAS Number | 188916-07-6 |
| Catalog Number | AG00BAZ5(AGN-PC-0QI8PC) |
| Chemical Name | 2-Amino-3-(6-chloropyridin-3-yl)propanoic acid |
| IUPAC Name | 2-amino-3-(6-chloropyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C8H9ClN2O2/c9-7-2-1-5(4-11-7)3-6(10)8(12)13/h1-2,4,6H,3,10H2,(H,12,13) |
| InChI Key | UKRRFOGHAISFEZ-UHFFFAOYSA-N |
| MDL Number | MFCD09915162 |
| Molecular Formula | C8H9ClN2O2 |
| Molecular Weight | 200.6223 |
| SMILES | NC(C(=O)O)CC=1C=NC(=CC1)Cl |
| Synonyms | 188916-07-6,
2-amino-3-(6-chloropyridin-3-yl)propanoic acid,
SCHEMBL5280916,
3-Pyridinepropanoicacid,-alpha--amino-6-chloro-(9CI),
3-Pyridinepropanoic acid, alpha-amino-6-chloro- (9CI),
(S)-2-AMINO-3-(6-CHLOROPYRIDIN-3-YL)PROPANOIC ACID 2HCL,
3-Pyridinepropanoic acid, -alpha--amino-6-chloro- (9CI),
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.622g/mol |
| Monoisotopic Mass | 200.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number