| CAS Number | 1820687-03-3 |
| Catalog Number | AG00I0VC(AGN-PC-0WR47L) |
| Chemical Name | 4,6,8-Trichloroquinoline-3-carboxylic acid |
| IUPAC Name | 4,6,8-trichloroquinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H4Cl3NO2/c11-4-1-5-8(13)6(10(15)16)3-14-9(5)7(12)2-4/h1-3H,(H,15,16) |
| InChI Key | XAUCCNHSIDWTLS-UHFFFAOYSA-N |
| MDL Number | MFCD28024849 |
| Molecular Formula | C10H4Cl3NO2 |
| Molecular Weight | 276.5033 |
| SMILES | Clc1cc(Cl)c2c(c1)c(Cl)c(cn2)C(=O)O |
| Synonyms | 4,6,8-TRICHLOROQUINOLINE-3-CARBOXYLIC ACID,
1820687-03-3,
ZINC169725185,
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| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.497g/mol |
| Monoisotopic Mass | 274.931g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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