| CAS Number | 1261933-39-4 |
| Catalog Number | AG00HMF4 |
| Chemical Name | 4-(2-Chlorophenyl)-3-fluorobenzoic acid |
| IUPAC Name | 4-(2-chlorophenyl)-3-fluorobenzoic acid |
| InChI | InChI=1S/C13H8ClFO2/c14-11-4-2-1-3-9(11)10-6-5-8(13(16)17)7-12(10)15/h1-7H,(H,16,17) |
| InChI Key | BOADDNMXVAXATO-UHFFFAOYSA-N |
| MDL Number | MFCD16509417 |
| Molecular Formula | C13H8ClFO2 |
| Molecular Weight | 250.6528 |
| SMILES | Fc1cc(ccc1c1ccccc1Cl)C(=O)O |
| Synonyms | 1261933-39-4,
4-(2-CHLOROPHENYL)-3-FLUOROBENZOIC ACID,
2'-Chloro-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid,
DTXSID50681409,
MFCD16509417,
AKOS010971890,
2'-Chloro-2-fluoro[1,1'-biphenyl]-4-carboxylic acid,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.653g/mol |
| Monoisotopic Mass | 250.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number