| CAS Number | 1183614-10-9 |
| Catalog Number | AG01AGIX |
| Chemical Name | 4-(3,4-Dimethylphenyl)-2-fluorobenzoic acid |
| IUPAC Name | 4-(3,4-dimethylphenyl)-2-fluorobenzoic acid |
| InChI | InChI=1S/C15H13FO2/c1-9-3-4-11(7-10(9)2)12-5-6-13(15(17)18)14(16)8-12/h3-8H,1-2H3,(H,17,18) |
| InChI Key | DTYQQHFUTOPXLE-UHFFFAOYSA-N |
| MDL Number | MFCD12859487 |
| Molecular Formula | C15H13FO2 |
| Molecular Weight | 244.2609 |
| SMILES | CC1=C(C)C=C(C2=CC(F)=C(C(O)=O)C=C2)C=C1 |
| Synonyms | 4-(3,4-dimethylphenyl)-2-fluorobenzoic acid,
1183614-10-9,
AC1Q2DT6,
3-Fluoro-3',4'-dimethylbiphenyl-4-carboxylic acid,
SCHEMBL14994362,
ZINC38068788,
AKOS006082169,
MCULE-4805996236,
NE15593,
EN300-71990,
Z1259273303,
3-fluoro-3',4'-dimethyl-[1,1'-biphenyl]-4-carboxylic acid,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.265g/mol |
| Monoisotopic Mass | 244.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number