| CAS Number | 1179149-30-4 |
| Catalog Number | AG00HEBC |
| Chemical Name | 6-Chloroisoquinoline-1-carboxylic acid |
| IUPAC Name | 6-chloroisoquinoline-1-carboxylic acid |
| InChI | InChI=1S/C10H6ClNO2/c11-7-1-2-8-6(5-7)3-4-12-9(8)10(13)14/h1-5H,(H,13,14) |
| InChI Key | CHJRVNVGFZPCJH-UHFFFAOYSA-N |
| MDL Number | MFCD22689645 |
| Molecular Formula | C10H6ClNO2 |
| Molecular Weight | 207.6131 |
| SMILES | OC(=O)C1=NC=CC2=C1C=CC(Cl)=C2 |
| Synonyms | 6-CHLOROISOQUINOLINE-1-CARBOXYLIC ACID,
1179149-30-4,
SCHEMBL754061,
DTXSID70731399,
MFCD22689645,
ZINC82377504,
AKOS022692157,
1-Isoquinolinecarboxylic acid, 6-chloro-,
AS-41587,
FT-0703133,
|
| 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
Certificate of Analysis
Lot Number