| CAS Number | 928032-23-9 |
| Catalog Number | AG00H5C2(AGN-PC-0J0Y8F) |
| Chemical Name | 6-Nitroisoquinolin-1(2H)-one |
| IUPAC Name | 6-nitro-2H-isoquinolin-1-one |
| InChI | InChI=1S/C9H6N2O3/c12-9-8-2-1-7(11(13)14)5-6(8)3-4-10-9/h1-5H,(H,10,12) |
| InChI Key | DWFJQUBPWKLJNA-UHFFFAOYSA-N |
| MDL Number | MFCD18250887 |
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.1555 |
| SMILES | [O-][N+](=O)C1=CC2=C(C=C1)C(=O)NC=C2 |
| Synonyms | 6-Nitroisoquinolin-1(2H)-one,
928032-23-9,
6-nitro-2H-isoquinolin-1-one,
6-NITRO-1,2-DIHYDROISOQUINOLIN-1-ONE,
1(2H)-Isoquinolinone, 6-nitro-,
SCHEMBL16307004,
CTK8C3335,
DTXSID50743758,
DWFJQUBPWKLJNA-UHFFFAOYSA-N,
5686AC,
ANW-69964,
ZINC82046786,
AKOS016001738,
AB73856,
AJ-124481,
FT-0737925,
ST24024446,
Z2235330315,
C9H6N2O3,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.158g/mol |
| Monoisotopic Mass | 190.038g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number