| CAS Number | 152523-77-8 |
| Catalog Number | AG01A6LM(AGN-PC-04R1V6) |
| Chemical Name | Propan-2-yl 2-chloropyridine-3-carboxylate |
| IUPAC Name | propan-2-yl 2-chloropyridine-3-carboxylate |
| InChI | InChI=1S/C9H10ClNO2/c1-6(2)13-9(12)7-4-3-5-11-8(7)10/h3-6H,1-2H3 |
| InChI Key | KNKVAUDQVGHCSM-UHFFFAOYSA-N |
| MDL Number | MFCD18839830 |
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.6342 |
| SMILES | CC(OC(C1=C(Cl)N=CC=C1)=O)C |
| Synonyms | propan-2-yl 2-chloropyridine-3-carboxylate,
152523-77-8,
Isopropyl 2-chloronicotinate,
SCHEMBL2223051,
KNKVAUDQVGHCSM-UHFFFAOYSA-N,
ZINC70166344,
AKOS008947792,
NE24402,
1-methylethyl 2-chloro-3-pyridinecarboxylate,
3-Pyridinecarboxylic acid, 2-chloro-, 1-methylethyl ester,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.634g/mol |
| Monoisotopic Mass | 199.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number