| CAS Number | 1357946-43-0 |
| Catalog Number | AG009FRR(AGN-PC-0WR0OD) |
| Chemical Name | Methyl 1-chloroisoquinoline-6-carboxylate |
| IUPAC Name | methyl 1-chloroisoquinoline-6-carboxylate |
| InChI | InChI=1S/C11H8ClNO2/c1-15-11(14)8-2-3-9-7(6-8)4-5-13-10(9)12/h2-6H,1H3 |
| InChI Key | PKEQALCNHHWENP-UHFFFAOYSA-N |
| MDL Number | MFCD21365100 |
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.6397 |
| SMILES | O=C(C2=CC1=CC=NC(Cl)=C1C=C2)OC |
| Synonyms | Methyl 1-chloroisoquinoline-6-carboxylate,
1357946-43-0,
SCHEMBL20504323,
ZX-AT001722,
MFCD21365100,
ZINC82766592,
AKOS022879583,
AS-42950,
OR300107,
CS-0046188,
C-0015,
1-Chloro-6-(methoxycarbonyl)isoquinoline,
methyl 1-chloroisoquinoline-6-carboxylate, 95% - 1G 1g,
|
| 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
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Certificate of Analysis
Lot Number