| CAS Number | 1256794-71-4 |
| Catalog Number | AG000OCX(AGN-PC-0WR295) |
| Chemical Name | 3-Chloroisoquinoline-6-Carboxylic Acid |
| IUPAC Name | 3-chloroisoquinoline-6-carboxylic acid |
| InChI | InChI=1S/C10H6ClNO2/c11-9-4-8-3-6(10(13)14)1-2-7(8)5-12-9/h1-5H,(H,13,14) |
| InChI Key | XYHYBNUDOGWNRA-UHFFFAOYSA-N |
| MDL Number | MFCD18260383 |
| Molecular Formula | C10H6ClNO2 |
| Molecular Weight | 207.6131 |
| SMILES | OC(C1=CC2=C(C=NC(=C2)Cl)C=C1)=O |
| Synonyms | 3-Chloroisoquinoline-6-carboxylic acid,
1256794-71-4,
SCHEMBL15507160,
XYHYBNUDOGWNRA-UHFFFAOYSA-N,
ZX-AT001695,
MFCD18260383,
ZINC95628598,
FCH1366405,
6-Isoquinolinecarboxylic acid, 3-chloro-,
AS-40887,
OR300082,
3-chloro-6-Isoquinolinecarboxylic acid,
3-chloroisoquinoline-6-carboxylic acid, 95% - 1G 1g,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.613g/mol |
| Monoisotopic Mass | 207.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number