| CAS Number | 82117-25-7 |
| Catalog Number | AG00GACP(AGN-PC-0WOJEY) |
| Chemical Name | 3-chloroisoquinolin-7-ol |
| IUPAC Name | 3-chloroisoquinolin-7-ol |
| InChI | InChI=1S/C9H6ClNO/c10-9-4-6-1-2-8(12)3-7(6)5-11-9/h1-5,12H |
| InChI Key | VSVGOEPXVJBHEJ-UHFFFAOYSA-N |
| MDL Number | MFCD22380494 |
| Molecular Formula | C9H6ClNO |
| Molecular Weight | 179.6030 |
| SMILES | ClC=1N=CC2=CC(=CC=C2C1)O |
| Synonyms | 3-Chloroisoquinolin-7-ol,
82117-25-7,
7-Isoquinolinol, 3-chloro-,
SCHEMBL16295919,
MFCD22380494,
ZINC95628660,
CS-0082152,
3-Chloro-7-hydroxyisoquinoline,
3-chloroisoquinolin-7-ol, 95% - 1G 1g,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.603g/mol |
| Monoisotopic Mass | 179.014g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number