| CAS Number | 121490-66-2 |
| Catalog Number | AG00151J(AGN-PC-0WAKE7) |
| Chemical Name | 8-chloroquinoline-4-carboxylic acid |
| IUPAC Name | 8-chloroquinoline-4-carboxylic acid |
| InChI | InChI=1S/C10H6ClNO2/c11-8-3-1-2-6-7(10(13)14)4-5-12-9(6)8/h1-5H,(H,13,14) |
| InChI Key | FDOWCPBIOYKIND-UHFFFAOYSA-N |
| MDL Number | MFCD18914781 |
| Molecular Formula | C10H6ClNO2 |
| Molecular Weight | 207.6131 |
| SMILES | O=C(C1=CC=NC2=C(Cl)C=CC=C12)O |
| Synonyms | 8-CHLOROQUINOLINE-4-CARBOXYLIC ACID,
121490-66-2,
4-Quinolinecarboxylic acid, 8-chloro-,
SCHEMBL15129840,
MFCD18914781,
ZINC72206426,
AS-42676,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.613g/mol |
| Monoisotopic Mass | 207.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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