| CAS Number | 1374652-51-3 |
| Catalog Number | AG009FUJ(AGN-PC-0WNWE0) |
| Chemical Name | 3-Chloroisoquinolin-6-amine |
| IUPAC Name | 3-chloroisoquinolin-6-amine |
| InChI | InChI=1S/C9H7ClN2/c10-9-4-7-3-8(11)2-1-6(7)5-12-9/h1-5H,11H2 |
| InChI Key | KKXXUSBGVQSUCR-UHFFFAOYSA-N |
| MDL Number | MFCD22380488 |
| Molecular Formula | C9H7ClN2 |
| Molecular Weight | 178.6183 |
| SMILES | ClC=1N=CC2=CC=C(C=C2C1)N |
| Synonyms | 3-Chloroisoquinolin-6-amine,
1374652-51-3,
6-amino-3-chloroisoquinoline,
SCHEMBL19681405,
MFCD22380488,
ZINC95616300,
AKOS027424826,
PS-11598,
C-0164,
3-chloroisoquinolin-6-amine, 95% - 1G 1g,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.619g/mol |
| Monoisotopic Mass | 178.03g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number