| CAS Number | 1314656-42-2 |
| Catalog Number | AG01BAV1 |
| Chemical Name | 2-(3-Cyano-5-fluorophenyl)-2-methylpropanoic acid |
| IUPAC Name | 2-(3-cyano-5-fluorophenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C11H10FNO2/c1-11(2,10(14)15)8-3-7(6-13)4-9(12)5-8/h3-5H,1-2H3,(H,14,15) |
| InChI Key | DLBRIENUPFYVKY-UHFFFAOYSA-N |
| MDL Number | MFCD19696333 |
| Molecular Formula | C11H10FNO2 |
| Molecular Weight | 207.2010 |
| SMILES | C(#N)C=1C=C(C=C(C1)F)C(C(=O)O)(C)C |
| Synonyms | 2-(3-cyano-5-fluorophenyl)-2-methylpropanoic acid,
1314656-42-2,
ZINC84192902,
AKOS015156334,
FCH5693597,
BBV-41268628,
EN300-211047,
Z2065464246,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.204g/mol |
| Monoisotopic Mass | 207.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number