| CAS Number | 121490-68-4 |
| Catalog Number | AG00151H(AGN-PC-0JP738) |
| Chemical Name | 8-chloroquinoline-5-carboxylic acid |
| IUPAC Name | 8-chloroquinoline-5-carboxylic acid |
| InChI | InChI=1S/C10H6ClNO2/c11-8-4-3-7(10(13)14)6-2-1-5-12-9(6)8/h1-5H,(H,13,14) |
| InChI Key | YCJCLDOHESCJRP-UHFFFAOYSA-N |
| MDL Number | MFCD24481580 |
| Molecular Formula | C10H6ClNO2 |
| Molecular Weight | 207.6131 |
| NSC Number | 139053 |
| SMILES | OC(C1=C2C(N=CC=C2)=C(Cl)C=C1)=O |
| Synonyms | 8-chloroquinoline-5-carboxylic acid,
121490-68-4,
5-Quinolinecarboxylic acid, 8-chloro-,
NSC139053,
AC1L5ZHU,
SCHEMBL3899127,
CTK7I7786,
YCJCLDOHESCJRP-UHFFFAOYSA-N,
ZINC1723913,
8-Chloro-5-quinolinecarboxylic acid,
MFCD24481580,
AKOS022188348,
NSC-139053,
AJ-59792,
AS-43039,
Z2009833117,
CID283831,
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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 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number