| CAS Number | 943113-85-7 |
| Catalog Number | AG00VSH6(AGN-PC-0WBKCM) |
| Chemical Name | 3-(2-fluorophenyl)-2-methylpropanoic acid |
| IUPAC Name | 3-(2-fluorophenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C10H11FO2/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13) |
| InChI Key | JDWUYNKWOVASPA-UHFFFAOYSA-N |
| MDL Number | MFCD09894703 |
| Molecular Formula | C10H11FO2 |
| Molecular Weight | 182.1915 |
| SMILES | CC(C(O)=O)CC1=C(F)C=CC=C1 |
| Synonyms | 3-(2-fluorophenyl)-2-methylpropanoic acid,
943113-85-7,
SCHEMBL6443526,
AKOS000345373,
AKOS016050914,
MCULE-3357333139,
NE25292,
NS-01604,
EN300-82066,
A1-08711,
Z1250132474,
2-(2-Fluorobenzyl)propanoic acid,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.194g/mol |
| Monoisotopic Mass | 182.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number