| CAS Number | 136295-01-7 |
| Catalog Number | AG009YW6(AGN-PC-002ZWZ) |
| Chemical Name | 4(4'-trifluoroMethylphenyl)butanoic acid |
| IUPAC Name | 4-[4-(trifluoromethyl)phenyl]butanoic acid |
| InChI | InChI=1S/C11H11F3O2/c12-11(13,14)9-6-4-8(5-7-9)2-1-3-10(15)16/h4-7H,1-3H2,(H,15,16) |
| InChI Key | YZESNPBHOXIPRA-UHFFFAOYSA-N |
| MDL Number | MFCD06810491 |
| Molecular Formula | C11H11F3O2 |
| Molecular Weight | 232.1990 |
| SMILES | O=C(O)CCCC1=CC=C(C(F)(F)F)C=C1 |
| Synonyms | 136295-01-7,
4-(4-(trifluoromethyl)phenyl)butanoic acid,
4-[4-(trifluoromethyl)phenyl]butanoic acid,
4(4'-trifluoromethylphenyl)butanoic acid,
4-(4-Trifluoromethyl-phenyl)-butyric acid,
Benzenebutanoic acid, 4-(trifluoromethyl)-,
ACMC-20mw3u,
SCHEMBL1454387,
CTK0B9513,
DTXSID90565335,
MFCD06810491,
ZINC34407857,
AKOS013529303,
MCULE-1999313396,
NE49214,
CS-0047352,
Z1696871213,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.202g/mol |
| Monoisotopic Mass | 232.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number