| CAS Number | 1396777-92-6 |
| Catalog Number | AG01FUDI(AGN-PC-0WNWRZ) |
| Chemical Name | 2,7-Naphthyridine-2(1H)-carboxylic acid, 6-chloro-3,4-dihydro-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 6-chloro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate |
| InChI | InChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-5-4-9-6-11(14)15-7-10(9)8-16/h6-7H,4-5,8H2,1-3H3 |
| InChI Key | GAUKNFKNSBMOLU-UHFFFAOYSA-N |
| MDL Number | MFCD24471576 |
| Molecular Formula | C13H17ClN2O2 |
| Molecular Weight | 268.7393 |
| SMILES | ClC=1C=C2CCN(CC2=CN1)C(=O)OC(C)(C)C |
| Synonyms | 1396777-92-6,
tert-butyl 6-chloro-3,4-dihydro-2,7-naphthyridine-2(1H)-carboxylate,
SCHEMBL12078086,
GAUKNFKNSBMOLU-UHFFFAOYSA-N,
DA-10752,
FT-0730102,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.097855g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.74g/mol |
| Monoisotopic Mass | 268.097855g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number