| CAS Number | 1214340-35-8 |
| Catalog Number | AG009WTX(AGN-PC-0WA77Z) |
| Chemical Name | 3-(2-Fluorophenyl)-4-fluorobenzoic acid |
| IUPAC Name | 4-fluoro-3-(2-fluorophenyl)benzoic acid |
| InChI | InChI=1S/C13H8F2O2/c14-11-4-2-1-3-9(11)10-7-8(13(16)17)5-6-12(10)15/h1-7H,(H,16,17) |
| InChI Key | SKJJIFCEFYJFSU-UHFFFAOYSA-N |
| MDL Number | MFCD14699218 |
| Molecular Formula | C13H8F2O2 |
| Molecular Weight | 234.1982 |
| SMILES | OC(=O)c1ccc(c(c1)c1ccccc1F)F |
| Synonyms | 3-(2-FLUOROPHENYL)-4-FLUOROBENZOIC ACID,
1214340-35-8,
DTXSID00673354,
MFCD14699218,
ZINC47204151,
AKOS022348253,
2',2-Difluorobiphenyl-5-carboxylic acid,
Z8314,
K-1538,
2',6-Difluoro[1,1'-biphenyl]-3-carboxylic acid,
C13H8F2O2,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.202g/mol |
| Monoisotopic Mass | 234.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number