| CAS Number | 90717-17-2 |
| Catalog Number | AG006MTL(AGN-PC-0JWN1P) |
| Chemical Name | (2-Chlorophenyl)(1-hydroxycyclopentyl)methanone |
| EC Number | 292-676-0 |
| IUPAC Name | (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone |
| InChI | InChI=1S/C12H13ClO2/c13-10-6-2-1-5-9(10)11(14)12(15)7-3-4-8-12/h1-2,5-6,15H,3-4,7-8H2 |
| InChI Key | OVTPOHDQDJTAEF-UHFFFAOYSA-N |
| MDL Number | MFCD02323788 |
| Molecular Formula | C12H13ClO2 |
| Molecular Weight | 224.6834 |
| SMILES | OC1(CCCC1)C(=O)c2ccccc2Cl |
| UNII | 7428H4566N |
| Synonyms | 90717-17-2,
(2-Chlorophenyl) (1-hydroxycyclopentyl) ketone,
UNII-7428H4566N,
(2-Chlorophenyl)(1-hydroxycyclopentyl)methanone,
7428H4566N,
(2-chlorophenyl)-(1-hydroxycyclopentyl)methanone,
EINECS 292-676-0,
AC1LGU4V,
CTK5G8329,
DTXSID80238243,
AKOS028111612,
TX-015584,
(2-chlorophenyl)(1-hydroxycyclopentyl)ketone,
Methanone, (2-chlorophenyl)(1-hydroxycyclopentyl)-,
C12-H13-Cl-O2,
CID827018,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.684g/mol |
| Monoisotopic Mass | 224.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number