| CAS Number | 587886-11-1 |
| Catalog Number | AG00EAGR(AGN-PC-0NG83F) |
| Chemical Name | 4-Bromo-2-(trifluoromethyl)quinoline-3-carboxylic acid |
| IUPAC Name | 4-bromo-2-(trifluoromethyl)quinoline-3-carboxylic acid |
| InChI | InChI=1S/C11H5BrF3NO2/c12-8-5-3-1-2-4-6(5)16-9(11(13,14)15)7(8)10(17)18/h1-4H,(H,17,18) |
| InChI Key | IMXGCAYXSYGXDF-UHFFFAOYSA-N |
| MDL Number | MFCD08458126 |
| Molecular Formula | C11H5BrF3NO2 |
| Molecular Weight | 320.0621 |
| SMILES | O=C(C1=C(Br)C2=CC=CC=C2N=C1C(F)(F)F)O |
| Synonyms | 4-bromo-2-(trifluoromethyl)quinoline-3-carboxylic Acid,
587886-11-1,
CTK7I6116,
DTXSID70455967,
ZX-AP010700,
6140AE,
MFCD08458126,
SBB053284,
ZINC16159911,
AKOS024263590,
AK164685,
AS-30852,
QC-11516,
SC-66425,
AB0049131,
4-bromo-2-(trifluoromethyl)quinoline-3-carboxylic,
4-bromo-2-(trifluoromethyl)quinoline-3-carboxylic acid, >98%,
4-bromo-2-(trifluoromethyl)quinoline-3-carboxylic acid?>98%,
C11H5BrF3NO2,
CID11120770,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.065g/mol |
| Monoisotopic Mass | 318.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number