| CAS Number | 125300-42-7 |
| Catalog Number | AG000NH2(AGN-PC-0JMM5Q) |
| Chemical Name | 8-Quinolinecarboxylic acid, 3-chloro- |
| IUPAC Name | 3-chloroquinoline-8-carboxylic acid |
| InChI | InChI=1S/C10H6ClNO2/c11-7-4-6-2-1-3-8(10(13)14)9(6)12-5-7/h1-5H,(H,13,14) |
| InChI Key | ZBCZIOIUHRRMLO-UHFFFAOYSA-N |
| MDL Number | MFCD28048888 |
| Molecular Formula | C10H6ClNO2 |
| Molecular Weight | 207.6131 |
| SMILES | O=C(C1=C2N=CC(Cl)=CC2=CC=C1)O |
| Synonyms | 3-chloroquinoline-8-carboxylic acid,
3-CQ-8-CA,
3-Chloroquinoline-8-carboxylic acid,
125300-42-7,
8-Quinolinecarboxylicacid, 3-chloro-,
8-Quinolinecarboxylic acid, 3-chloro-,
3-CQ-8-CA,
ACMC-20mrgg,
AC1L2XCF,
SCHEMBL1612627,
CTK0I1983,
DTXSID10154725,
ZINC6094461,
MFCD28048888,
FCH2694308,
AK164725,
AS-32804,
C10-H6-Cl-N-O2,
CID130409,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number