| CAS Number | 1267298-84-9 |
| Catalog Number | AG019EUW |
| Chemical Name | 2-[(2-fluorophenyl)methyl]butanedioic acid |
| IUPAC Name | 2-[(2-fluorophenyl)methyl]butanedioic acid |
| InChI | InChI=1S/C11H11FO4/c12-9-4-2-1-3-7(9)5-8(11(15)16)6-10(13)14/h1-4,8H,5-6H2,(H,13,14)(H,15,16) |
| InChI Key | FIZZHEMBZKNNTJ-UHFFFAOYSA-N |
| MDL Number | MFCD09835757 |
| Molecular Formula | C11H11FO4 |
| Molecular Weight | 226.2010 |
| SMILES | OC(=O)CC(Cc1ccccc1F)C(O)=O |
| Synonyms | 2-(2-Fluorobenzyl)succinic acid,
1267298-84-9,
MFCD09835757,
CS-0037250,
2-(2-fluorobenzyl)succinic acid(WXC06985),
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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