| CAS Number | 1375068-82-8 |
| Catalog Number | AG009WZY |
| Chemical Name | 5-[3-(Carboxymethyl)phenyl]-2-fluorobenzoic acid |
| IUPAC Name | 5-[3-(carboxymethyl)phenyl]-2-fluorobenzoic acid |
| InChI | InChI=1S/C15H11FO4/c16-13-5-4-11(8-12(13)15(19)20)10-3-1-2-9(6-10)7-14(17)18/h1-6,8H,7H2,(H,17,18)(H,19,20) |
| InChI Key | QCZWSMMGBYXHGI-UHFFFAOYSA-N |
| MDL Number | MFCD22205805 |
| Molecular Formula | C15H11FO4 |
| Molecular Weight | 274.2438 |
| SMILES | OC(=O)Cc1cccc(c1)c1ccc(c(c1)C(=O)O)F |
| Synonyms | 5-[3-(Carboxymethyl)phenyl]-2-fluorobenzoic acid,
1375068-82-8,
ACMC-209ccz,
CTK8B0643,
DTXSID20742975,
ANW-20289,
MFCD22205805,
ZINC85477213,
AKOS026673080,
TC-109034,
V2736,
K-4442,
3'-(Carboxymethyl)-4-fluoro[1,1'-biphenyl]-3-carboxylic acid,
C15H11FO4,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.247g/mol |
| Monoisotopic Mass | 274.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number