| CAS Number | 1238324-67-8 |
| Catalog Number | AG009ZZF |
| Chemical Name | tert-Butyl 6-chloro-4-formylpyridin-3-ylcarbamate |
| IUPAC Name | tert-butyl N-(6-chloro-4-formylpyridin-3-yl)carbamate |
| InChI | InChI=1S/C11H13ClN2O3/c1-11(2,3)17-10(16)14-8-5-13-9(12)4-7(8)6-15/h4-6H,1-3H3,(H,14,16) |
| InChI Key | GKFAVHZVKTXFTG-UHFFFAOYSA-N |
| MDL Number | MFCD26403907 |
| Molecular Formula | C11H13ClN2O3 |
| Molecular Weight | 256.6855 |
| SMILES | O=C(OC(C)(C)C)NC1=C(C=O)C=C(Cl)N=C1 |
| Synonyms | tert-butyl 6-chloro-4-formylpyridin-3-ylcarbamate,
1238324-67-8,
tert-butyl (6-chloro-4-formylpyridin-3-yl)carbamate,
SCHEMBL9939369,
GKFAVHZVKTXFTG-UHFFFAOYSA-N,
MFCD26403907,
ZINC95616451,
AKOS027425132,
DA-13896,
FT-0756924,
C-0395,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.686g/mol |
| Monoisotopic Mass | 256.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number