| CAS Number | 188121-31-5 |
| Catalog Number | AG002GPY(AGN-PC-04YV34) |
| Chemical Name | Isoquinoline, 6-methyl-5-nitro- |
| EC Number | 606-128-9 |
| IUPAC Name | 6-methyl-5-nitroisoquinoline |
| InChI | InChI=1S/C10H8N2O2/c1-7-2-3-8-6-11-5-4-9(8)10(7)12(13)14/h2-6H,1H3 |
| InChI Key | YYPKZGWCMPOFRV-UHFFFAOYSA-N |
| MDL Number | MFCD11848649 |
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.1827 |
| SMILES | O=[N+](C1=C(C)C=CC2=C1C=CN=C2)[O-] |
| Synonyms | 6-METHYL-5-NITROISOQUINOLINE,
188121-31-5,
Isoquinoline, 6-methyl-5-nitro-,
5-Nitro-6-methylisoquinoline,
SCHEMBL1982292,
YYPKZGWCMPOFRV-UHFFFAOYSA-N,
KS-000007RK,
MFCD11848649,
ZINC32501164,
AKOS022880273,
PB31608,
QC-9418,
SB21709,
AS-34803,
AB0097782,
CS-0050164,
Z3052,
Q-2080,
Z2719322367,
C10H8N2O2,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.186g/mol |
| Monoisotopic Mass | 188.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number