| CAS Number | 1206975-02-1 |
| Catalog Number | AG008WRX |
| Chemical Name | Methyl 1-chloroisoquinoline-7-carboxylate |
| IUPAC Name | methyl 1-chloroisoquinoline-7-carboxylate |
| InChI | InChI=1S/C11H8ClNO2/c1-15-11(14)8-3-2-7-4-5-13-10(12)9(7)6-8/h2-6H,1H3 |
| InChI Key | SZKDMOYPYAUGPM-UHFFFAOYSA-N |
| MDL Number | MFCD18250895 |
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.6397 |
| SMILES | ClC1=NC=CC2=CC=C(C=C12)C(=O)OC |
| Synonyms | METHYL 1-CHLOROISOQUINOLINE-7-CARBOXYLATE,
1206975-02-1,
ZX-AT001710,
MFCD18250895,
ZINC82766594,
AKOS022879585,
AB73874,
OR300108,
PS-11217,
C-0016,
1-Chloro-7-(methoxycarbonyl)isoquinoline,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.64g/mol |
| Monoisotopic Mass | 221.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number