| CAS Number | 1855-40-9 |
| Catalog Number | AG00AD4R(AGN-PC-0WBNVF) |
| Chemical Name | (3-Chlorophenyl)cyclopentylmethanone |
| IUPAC Name | (3-chlorophenyl)-cyclopentylmethanone |
| InChI | InChI=1S/C12H13ClO/c13-11-7-3-6-10(8-11)12(14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2 |
| InChI Key | XOIRTJDXSCKPCE-UHFFFAOYSA-N |
| MDL Number | MFCD03841307 |
| Molecular Formula | C12H13ClO |
| Molecular Weight | 208.6840 |
| SMILES | Clc1cccc(c1)C(=O)C2CCCC2 |
| Synonyms | 1855-40-9,
3-CHLOROPHENYL CYCLOPENTYL KETONE,
m-chlorophenyl cyclopentyl ketone,
(3-Chlorophenyl)cyclopentylmethanone,
SCHEMBL16409435,
CTK4D9043,
DTXSID60571488,
ZINC2514361,
Cyclopentyl(3-chlorophenyl)methanone,
MFCD03841307,
AKOS010014087,
(3-Chlorophenyl)(cyclopentyl)methanone,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.685g/mol |
| Monoisotopic Mass | 208.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number