| CAS Number | 730949-78-7 |
| Catalog Number | AG00FC5E |
| Chemical Name | 2-((5-Chloro-7-iodoquinolin-8-yl)oxy)acetic acid |
| IUPAC Name | 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetic acid |
| InChI | InChI=1S/C11H7ClINO3/c12-7-4-8(13)11(17-5-9(15)16)10-6(7)2-1-3-14-10/h1-4H,5H2,(H,15,16) |
| InChI Key | XLKWXKFEMAQBTO-UHFFFAOYSA-N |
| MDL Number | MFCD04621473 |
| Molecular Formula | C11H7ClINO3 |
| Molecular Weight | 363.5357 |
| SMILES | O=C(O)COC1=C2N=CC=CC2=C(Cl)C=C1I |
| Synonyms | (5-Chloro-7-iodo-quinolin-8-yloxy)-acetic acid,
730949-78-7,
2-[(5-chloro-7-iodoquinolin-8-yl)oxy]acetic acid,
2-((5-Chloro-7-iodoquinolin-8-yl)oxy)acetic acid,
AC1M68RU,
CTK7J5387,
HMS1752M22,
AC1Q7651,
ZINC3278004,
AKOS008967045,
MCULE-6362006063,
NE29701,
EN300-06430,
2-(5-chloro-7-iodoquinolin-8-yl)oxyacetic acid,
SR-01000046920,
SR-01000046920-1,
Z56943404,
CID2393499,
2-(5-chloro-7-iodo-quinolin-8-yl)oxyacetic Acid,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.535g/mol |
| Monoisotopic Mass | 362.916g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number