| CAS Number | 152714-07-3 |
| Catalog Number | AG019V3L(AGN-PC-0LDRUC) |
| Chemical Name | 3-(4-Chlorophenyl)Cyclobutanone |
| IUPAC Name | 3-(4-chlorophenyl)cyclobutan-1-one |
| InChI | InChI=1S/C10H9ClO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8H,5-6H2 |
| InChI Key | QXGIEYARHGBPSL-UHFFFAOYSA-N |
| MDL Number | MFCD04038980 |
| Molecular Formula | C10H9ClO |
| Molecular Weight | 180.6309 |
| SMILES | O=C1CC(C1)C2=CC=C(Cl)C=C2 |
| Synonyms | 3-(4-chlorophenyl)cyclobutanone,
152714-07-3,
3-(4-chlorophenyl)cyclobutan-1-one,
3-(4-Chlorophenyl)-cyclobutane-1-one,
AC1NEBSL,
SCHEMBL425308,
CTK7H2488,
ZINC2525579,
MFCD04038980,
AKOS023842437,
NE24673,
AS-43614,
F8889-8427,
ZINC02525579,
CID4589694,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.631g/mol |
| Monoisotopic Mass | 180.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number