| CAS Number | 886763-11-7 |
| Catalog Number | AG00IFBU(AGN-PC-0WAOX3) |
| Chemical Name | 2-Methyl-4-(trifluoromethoxy)phenylacetic acid |
| IUPAC Name | 2-[2-methyl-4-(trifluoromethoxy)phenyl]acetic acid |
| InChI | InChI=1S/C10H9F3O3/c1-6-4-8(16-10(11,12)13)3-2-7(6)5-9(14)15/h2-4H,5H2,1H3,(H,14,15) |
| InChI Key | QAPHQXYMFGNMCK-UHFFFAOYSA-N |
| MDL Number | MFCD07368720 |
| Molecular Formula | C10H9F3O3 |
| Molecular Weight | 234.1719 |
| SMILES | FC(OC1C=CC(CC(O)=O)=C(C)C=1)(F)F |
| Synonyms | 2-methyl-4-(trifluoromethoxy)phenylacetic acid,
886763-11-7,
2-[2-methyl-4-(trifluoromethoxy)phenyl]acetic Acid,
MFCD07368720,
[2-methyl-4-(trifluoromethoxy)phenyl]acetic acid,
2-(2-Methyl-4-(trifluoromethoxy)phenyl)acetic acid,
AC1MD48H,
CTK7J2345,
ZX-AP002971,
PC1066,
SBB098200,
ZINC16125772,
PS-11178,
CS-0088071,
2-Methyl-4-(trifluoromethoxy)phenylacetic aci,
CID2783307,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.174g/mol |
| Monoisotopic Mass | 234.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number