| CAS Number | 1368101-64-7 |
| Catalog Number | AG019EOX |
| Chemical Name | 2-[(3-fluorophenyl)methyl]butanedioic acid |
| IUPAC Name | 2-[(3-fluorophenyl)methyl]butanedioic acid |
| InChI | InChI=1S/C11H11FO4/c12-9-3-1-2-7(5-9)4-8(11(15)16)6-10(13)14/h1-3,5,8H,4,6H2,(H,13,14)(H,15,16) |
| InChI Key | PQBSCTXIZWETJS-UHFFFAOYSA-N |
| MDL Number | MFCD09835756 |
| Molecular Formula | C11H11FO4 |
| Molecular Weight | 226.2010 |
| SMILES | OC(=O)CC(Cc1cccc(F)c1)C(O)=O |
| Synonyms | 2-(3-FLUOROBENZYL)SUCCINIC ACID,
1368101-64-7,
SCHEMBL7242024,
MFCD09835756,
CS-0037249,
2-(3-fluorobenzyl)succinic acid(WXC06986),
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.203g/mol |
| Monoisotopic Mass | 226.064g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number