| CAS Number | 956327-03-0 |
| Catalog Number | AG019PGP |
| Chemical Name | 2-(4-(4-Fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid |
| IUPAC Name | 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid |
| InChI | InChI=1S/C12H11FN2O4/c1-12(7-2-4-8(13)5-3-7)10(18)15(6-9(16)17)11(19)14-12/h2-5H,6H2,1H3,(H,14,19)(H,16,17) |
| InChI Key | BYNVPEAJZWNGHA-UHFFFAOYSA-N |
| MDL Number | MFCD08729200 |
| Molecular Formula | C12H11FN2O4 |
| Molecular Weight | 266.2251 |
| SMILES | O=C(O)CN(C(NC1(C2=CC=C(F)C=C2)C)=O)C1=O |
| Synonyms | 956327-03-0,
[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid,
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid,
2-(4-(4-Fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid,
AC1Q2CZI,
CTK8F2491,
AKOS009079768,
MCULE-1589457288,
NE34642,
EN300-23565,
J-502755,
Z228474604,
1-Imidazolidineacetic acid, 4-(4-fluorophenyl)-4-methyl-2,5-dioxo,
|
| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.228g/mol |
| Monoisotopic Mass | 266.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number