| CAS Number | 31181-35-8 |
| Catalog Number | AG01AMAJ |
| Chemical Name | 7-chloroisoquinoline-1-carbaldehyde |
| IUPAC Name | 7-chloroisoquinoline-1-carbaldehyde |
| InChI | InChI=1S/C10H6ClNO/c11-8-2-1-7-3-4-12-10(6-13)9(7)5-8/h1-6H |
| InChI Key | BPGZRSYWIYBSDC-UHFFFAOYSA-N |
| MDL Number | MFCD22099599 |
| Molecular Formula | C10H6ClNO |
| Molecular Weight | 191.6137 |
| SMILES | ClC1=CC2=C(C=CN=C2C=O)C=C1 |
| Synonyms | 7-chloroisoquinoline-1-carbaldehyde,
31181-35-8,
1-Isoquinolinecarboxaldehyde, 7-chloro-,
ZINC82768965,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.614g/mol |
| Monoisotopic Mass | 191.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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