| CAS Number | 70585-49-8 |
| Catalog Number | AG00FHG3(AGN-PC-015VOJ) |
| Chemical Name | 5-chloroquinoline-8-carboxylic acid |
| IUPAC Name | 5-chloroquinoline-8-carboxylic acid |
| InChI | InChI=1S/C10H6ClNO2/c11-8-4-3-7(10(13)14)9-6(8)2-1-5-12-9/h1-5H,(H,13,14) |
| InChI Key | CAWINOOCACWKDM-UHFFFAOYSA-N |
| MDL Number | MFCD09048580 |
| Molecular Formula | C10H6ClNO2 |
| Molecular Weight | 207.6131 |
| SMILES | OC(C1=C2C(C=CC=N2)=C(Cl)C=C1)=O |
| Synonyms | 5-chloroquinoline-8-carboxylic acid,
70585-49-8,
AC1Q72QF,
CTK7I7788,
DTXSID60588314,
ZINC12540145,
AKOS000132163,
8-Quinolinecarboxylic acid, 5-chloro-,
MCULE-3922768640,
NE14196,
AJ-62645,
SC-35489,
SY058526,
EN300-35208,
MFCD09048580 (95%),
F8880-6014,
|
| 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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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number