| CAS Number | 2211-81-6 |
| Catalog Number | AG00BHFK(AGN-PC-0NJR6S) |
| Chemical Name | 4-Fluoroisobenzofuran-1(3H)-one |
| IUPAC Name | 4-fluoro-3H-2-benzofuran-1-one |
| InChI | InChI=1S/C8H5FO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2 |
| InChI Key | IQPUBERHUFXEHP-UHFFFAOYSA-N |
| MDL Number | MFCD15146042 |
| Molecular Formula | C8H5FO2 |
| Molecular Weight | 152.1225 |
| SMILES | FC1=CC=CC2=C1COC2=O |
| Synonyms | 4-Fluoroisobenzofuran-1(3H)-one,
2211-81-6,
4-fluoro-3H-isobenzofuran-1-one,
4-fluoro-1(3H)-isobenzofuranone,
SCHEMBL856025,
IQPUBERHUFXEHP-UHFFFAOYSA-N,
MFCD15146042,
ZINC39259097,
AKOS022717057,
FCH1159662,
AS-43227,
PC500776,
ACN-054659,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.124g/mol |
| Monoisotopic Mass | 152.027g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number