| CAS Number | 1181266-74-9 |
| Catalog Number | AG00HED9(AGN-PC-0WG3U6) |
| Chemical Name | 4-(4-FLUORO-BENZYL)-BENZOIC ACID |
| IUPAC Name | 4-[(4-fluorophenyl)methyl]benzoic acid |
| InChI | InChI=1S/C14H11FO2/c15-13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)14(16)17/h1-8H,9H2,(H,16,17) |
| InChI Key | UEFFUEDUQCZWMV-UHFFFAOYSA-N |
| MDL Number | MFCD11890983 |
| Molecular Formula | C14H11FO2 |
| Molecular Weight | 230.2343 |
| SMILES | OC(=O)c1ccc(Cc2ccc(F)cc2)cc1 |
| Synonyms | 4-(4-Fluoro-benzyl)-benzoic acid,
1181266-74-9,
4-(4-Fluorobenzyl)benzoic acid,
MFCD11890983,
ZINC33420503,
AM805751,
CS-0037564,
4-[(4-fluorophenyl)methyl]benzoic acid,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.238g/mol |
| Monoisotopic Mass | 230.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number