| CAS Number | 1080636-45-8 |
| Catalog Number | AG019V3N(AGN-PC-0WO5UV) |
| Chemical Name | 3-(3-fluorophenyl)cyclobutan-1-one |
| IUPAC Name | 3-(3-fluorophenyl)cyclobutan-1-one |
| InChI | InChI=1S/C10H9FO/c11-9-3-1-2-7(4-9)8-5-10(12)6-8/h1-4,8H,5-6H2 |
| InChI Key | OJNVADXYZQCCHD-UHFFFAOYSA-N |
| MDL Number | MFCD11848522 |
| Molecular Formula | C10H9FO |
| Molecular Weight | 164.1763 |
| SMILES | FC1=CC(C2CC(=O)C2)=CC=C1 |
| Synonyms | 3-(3-fluorophenyl)cyclobutanone,
3-(3-fluorophenyl)cyclobutan-1-one,
1080636-45-8,
SCHEMBL428343,
MFCD11848522,
ZINC66347075,
AKOS015898983,
NE31348,
AS-43616,
SC-36160,
I14-12584,
F8889-1673,
|
| 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