| CAS Number | 98410-85-6 |
| Catalog Number | AG01B4U6(AGN-PC-03GU5G) |
| Chemical Name | 7-Nitroisoquinolin-1-amine |
| IUPAC Name | 7-nitroisoquinolin-1-amine |
| InChI | InChI=1S/C9H7N3O2/c10-9-8-5-7(12(13)14)2-1-6(8)3-4-11-9/h1-5H,(H2,10,11) |
| InChI Key | OCZGKOHVBQYFSW-UHFFFAOYSA-N |
| MDL Number | MFCD18909153 |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.1708 |
| SMILES | NC1=C2C(C=CC([N+]([O-])=O)=C2)=CC=N1 |
| Synonyms | 7-nitroisoquinolin-1-amine,
98410-85-6,
1-Isoquinolinamine, 7-nitro-,
7-Nitro-1-isoquinolinaMine,
SCHEMBL5990018,
AKOS033932314,
ZINC164014109,
FT-0756920,
Z2509351112,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.174g/mol |
| Monoisotopic Mass | 189.054g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number