| CAS Number | 1080636-31-2 |
| Catalog Number | AG009OUW(AGN-PC-0WOBAK) |
| Chemical Name | 3-(2-Fluorophenyl)cyclobutanone |
| IUPAC Name | 3-(2-fluorophenyl)cyclobutan-1-one |
| InChI | InChI=1S/C10H9FO/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7H,5-6H2 |
| InChI Key | ZNHOEHONJNYTDA-UHFFFAOYSA-N |
| MDL Number | MFCD11848521 |
| Molecular Formula | C10H9FO |
| Molecular Weight | 164.1763 |
| SMILES | O=C1CC(C2=CC=CC=C2F)C1 |
| Synonyms | 3-(2-fluorophenyl)cyclobutan-1-one,
1080636-31-2,
3-(2-FLUOROPHENYL)CYCLOBUTANONE,
SCHEMBL425265,
ZINC68583426,
AKOS023166099,
MCULE-2348162401,
NE42358,
SC-35892,
EN300-43643,
F8881-3043,
Z1250132813,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.179g/mol |
| Monoisotopic Mass | 164.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number