| CAS Number | 893743-46-9 |
| Catalog Number | AG00IFPZ(AGN-PC-0WBYT1) |
| Chemical Name | 5-[(2-Fluorophenoxy)methyl]-2-furoic acid |
| IUPAC Name | 5-[(2-fluorophenoxy)methyl]furan-2-carboxylic acid |
| InChI | InChI=1S/C12H9FO4/c13-9-3-1-2-4-10(9)16-7-8-5-6-11(17-8)12(14)15/h1-6H,7H2,(H,14,15) |
| InChI Key | BKCYPRWSYNQSTF-UHFFFAOYSA-N |
| MDL Number | MFCD06803141 |
| Molecular Formula | C12H9FO4 |
| Molecular Weight | 236.1959 |
| SMILES | OC(C1OC(COC2=C(F)C=CC=C2)=CC=1)=O |
| Synonyms | 5-[(2-fluorophenoxy)methyl]-2-furoic acid,
5-[(2-fluorophenoxy)methyl]furan-2-carboxylic acid,
893743-46-9,
5-(2-fluorophenoxymethyl)furan-2-carboxylic acid,
AC1NEDLF,
AC1Q73A5,
CTK7C2592,
ALBB-003755,
ZINC8380405,
BBL015879,
KM4498,
MFCD06803141,
STK346011,
AKOS000149168,
MCULE-3740381682,
NS-03177,
TR-053965,
ST45241064,
EN300-40278,
CID4640586,
74556-57-3,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.198g/mol |
| Monoisotopic Mass | 236.048g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number