| CAS Number | 1086379-78-3 |
| Catalog Number | AG008S2W(AGN-PC-0WCAWT) |
| Chemical Name | 1-[4-(Trifluoromethyl)Phenyl]-Cyclobutanecarboxylic Acid |
| IUPAC Name | 1-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C12H11F3O2/c13-12(14,15)9-4-2-8(3-5-9)11(10(16)17)6-1-7-11/h2-5H,1,6-7H2,(H,16,17) |
| InChI Key | IHSVFVVESPSFCD-UHFFFAOYSA-N |
| MDL Number | MFCD10703525 |
| Molecular Formula | C12H11F3O2 |
| Molecular Weight | 244.2097 |
| SMILES | FC(C1=CC=C(C=C1)C1(CCC1)C(=O)O)(F)F |
| Synonyms | 1086379-78-3,
1-[4-(Trifluoromethyl)phenyl]cyclobutanecarboxylic acid,
1-[4-(Trifluoromethyl)phenyl]-cyclobutanecarboxylic acid,
1-(4-(TRIFLUOROMETHYL)PHENYL)CYCLOBUTANECARBOXYLIC ACID,
1-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid,
SCHEMBL16868072,
CTK7I5757,
DTXSID30651746,
KS-00003SM2,
MFCD10703525,
SBB052658,
ZINC20357724,
AKOS023128968,
SY112699,
TS-01429,
MFCD10703525 (95%),
1-(4-Trifluoromethylphenyl)-1-carboxy-cyclobutane,
1-[4-(Trifluoromethyl)phenyl]cyclobutanecarboxylic acid,
Z2471262547,
1-(4-trifluoromethylphenyl)cyclobutanecarboxylic acid,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.213g/mol |
| Monoisotopic Mass | 244.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number