| CAS Number | 392696-01-4 |
| Catalog Number | AG00C5TG(AGN-PC-0WB4JN) |
| Chemical Name | (E)-2-(2-Chloro-4-((2,5-dioxoimidazolidin-4-ylidene)methyl)phenoxy)acetic acid |
| IUPAC Name | 2-[2-chloro-4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid |
| InChI | InChI=1S/C12H9ClN2O5/c13-7-3-6(1-2-9(7)20-5-10(16)17)4-8-11(18)15-12(19)14-8/h1-4H,5H2,(H,16,17)(H2,14,15,18,19) |
| InChI Key | WRKCTXBIFSFVLI-UHFFFAOYSA-N |
| MDL Number | MFCD03550165 |
| Molecular Formula | C12H9ClN2O5 |
| Molecular Weight | 296.6633 |
| SMILES | N1C(=O)/C(/NC1=O)=CC1=CC=C(C(Cl)=C1)OCC(O)=O |
| Synonyms | AC1MXJ1M,
392696-01-4,
CHEMBRDG-BB 6478345,
(E)-2-(2-Chloro-4-((2,5-dioxoimidazolidin-4-ylidene)methyl)phenoxy)acetic acid,
CTK4I1226,
DTXSID70396826,
2-[2-chloro-4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetic Acid,
AKOS030253924,
MCULE-6984894814,
CID3816363,
{2-chloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy}acetic acid,
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| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.663g/mol |
| Monoisotopic Mass | 296.02g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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