| CAS Number | 1262011-07-3 |
| Catalog Number | AG009WU9(AGN-PC-0WAAEF) |
| Chemical Name | 4-Fluoro-3-(2-hydroxymethylphenyl)benzoic acid |
| IUPAC Name | 4-fluoro-3-[2-(hydroxymethyl)phenyl]benzoic acid |
| InChI | InChI=1S/C14H11FO3/c15-13-6-5-9(14(17)18)7-12(13)11-4-2-1-3-10(11)8-16/h1-7,16H,8H2,(H,17,18) |
| InChI Key | DFDHDRLYIMVPGY-UHFFFAOYSA-N |
| MDL Number | MFCD18319393 |
| Molecular Formula | C14H11FO3 |
| Molecular Weight | 246.2337 |
| SMILES | OCc1ccccc1c1cc(ccc1F)C(=O)O |
| Synonyms | 4-FLUORO-3-(2-HYDROXYMETHYLPHENYL)BENZOIC ACID,
1262011-07-3,
DTXSID30689044,
MFCD18319393,
ZINC65349868,
AKOS024438459,
Z9311,
6-Fluoro-2'-(hydroxymethyl)[1,1'-biphenyl]-3-carboxylic acid,
C14H11FO3,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.237g/mol |
| Monoisotopic Mass | 246.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number