| CAS Number | 365998-38-5 |
| Catalog Number | AG00D5IG(AGN-PC-01MHIJ) |
| Chemical Name | METHYL 7-CHLOROISOQUINOLINE-3-CARBOXYLATE |
| IUPAC Name | methyl 7-chloroisoquinoline-3-carboxylate |
| InChI | InChI=1S/C11H8ClNO2/c1-15-11(14)10-5-7-2-3-9(12)4-8(7)6-13-10/h2-6H,1H3 |
| InChI Key | CMOINENCXVRJRP-UHFFFAOYSA-N |
| MDL Number | MFCD17926306 |
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.6397 |
| SMILES | COC(=O)C1=CC2=C(C=N1)C=C(Cl)C=C2 |
| Synonyms | METHYL 7-CHLOROISOQUINOLINE-3-CARBOXYLATE,
365998-38-5,
SCHEMBL740718,
DTXSID10591232,
CMOINENCXVRJRP-UHFFFAOYSA-N,
MFCD17926306,
ZINC66054672,
AS-35602,
methyl 7-chloro-isoquinoline-3-carboxylate,
AB0073473,
AX8266474,
X-2640,
3-isoquinolinecarboxylic acid,7-chloro-,methyl ester,
3-Isoquinolinecarboxylic acid, 7-chloro-, methyl ester,
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| 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