| CAS Number | 53533-54-3 |
| Catalog Number | AG00DDBN(AGN-PC-03MTFQ) |
| Chemical Name | 1-Chloro-7-Methoxyisoquinoline |
| IUPAC Name | 1-chloro-7-methoxyisoquinoline |
| InChI | InChI=1S/C10H8ClNO/c1-13-8-3-2-7-4-5-12-10(11)9(7)6-8/h2-6H,1H3 |
| InChI Key | SSBMOLGNIQJGPF-UHFFFAOYSA-N |
| MDL Number | MFCD13189938 |
| Molecular Formula | C10H8ClNO |
| Molecular Weight | 193.6296 |
| SMILES | COC1=CC2=C(C=C1)C=CN=C2Cl |
| Synonyms | 1-chloro-7-methoxyisoquinoline,
53533-54-3,
1-Chloro-7-methoxy-isoquinoline,
SSBMOLGNIQJGPF-UHFFFAOYSA-N,
Isoquinoline, 1-chloro-7-methoxy-,
SCHEMBL1526883,
DTXSID30623862,
MFCD13189938,
ZINC38540268,
AKOS017518530,
AB69421,
AJ-96356,
EN000005,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.63g/mol |
| Monoisotopic Mass | 193.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number