| CAS Number | 1261914-12-8 |
| Catalog Number | AG00HL2M |
| Chemical Name | 3',4'-Dichloro-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid |
| IUPAC Name | 4-(3,4-dichlorophenyl)-3-fluorobenzoic acid |
| InChI | InChI=1S/C13H7Cl2FO2/c14-10-4-2-7(5-11(10)15)9-3-1-8(13(17)18)6-12(9)16/h1-6H,(H,17,18) |
| InChI Key | JCXUKUPCWFNOPY-UHFFFAOYSA-N |
| MDL Number | MFCD18321889 |
| Molecular Formula | C13H7Cl2FO2 |
| Molecular Weight | 285.0979 |
| SMILES | OC(C1=CC(F)=C(C2=CC(Cl)=C(Cl)C=C2)C=C1)=O |
| Synonyms | 1261914-12-8,
4-(3,4-DICHLOROPHENYL)-3-FLUOROBENZOIC ACID,
3',4'-Dichloro-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid,
DTXSID40681312,
MFCD18321889,
ZINC65331662,
AKOS006213104,
3',4'-Dichloro-2-fluoro-biphenyl-4-carboxylic acid,
3',4'-Dichloro-2-fluoro[1,1'-biphenyl]-4-carboxylic acid,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.095g/mol |
| Monoisotopic Mass | 283.981g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number