| CAS Number | 30836-96-5 |
| Catalog Number | AG0031GU(AGN-PC-0WCY4W) |
| Chemical Name | 2-Quinolinecarboxylic acid, 6-nitro- |
| IUPAC Name | 6-nitroquinoline-2-carboxylic acid |
| InChI | InChI=1S/C10H6N2O4/c13-10(14)9-3-1-6-5-7(12(15)16)2-4-8(6)11-9/h1-5H,(H,13,14) |
| InChI Key | CFOGTLCSNDGABE-UHFFFAOYSA-N |
| MDL Number | MFCD08436460 |
| Molecular Formula | C10H6N2O4 |
| Molecular Weight | 218.1656 |
| SMILES | O=C(C1=NC2=CC=C([N+]([O-])=O)C=C2C=C1)O |
| Synonyms | 6-NITROQUINOLINE-2-CARBOXYLIC ACID,
30836-96-5,
2-Quinolinecarboxylic acid, 6-nitro-,
2-carboxy-6-nitroquinoline,
SCHEMBL8541741,
DTXSID90489163,
CFOGTLCSNDGABE-UHFFFAOYSA-N,
6-Nitro-2-quinolinecarboxylic acid,
ZX-AL000249,
MFCD08436460,
ZINC26438522,
AKOS000319916,
AK201884,
AS-41384,
SC-68169,
EN300-104946,
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| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.168g/mol |
| Monoisotopic Mass | 218.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number