| CAS Number | 26525-19-9 |
| Catalog Number | AG01BD4N(AGN-PC-0KQ016) |
| Chemical Name | 1-(Adamantan-1-yl)-3-chloropropan-2-one |
| IUPAC Name | 1-(1-adamantyl)-3-chloropropan-2-one |
| InChI | InChI=1S/C13H19ClO/c14-8-12(15)7-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2 |
| InChI Key | QPVCZVHBGHYCAS-UHFFFAOYSA-N |
| MDL Number | MFCD07186483 |
| Molecular Formula | C13H19ClO |
| Molecular Weight | 226.7424 |
| SMILES | ClCC(CC12CC3CC(C1)CC(C3)C2)=O |
| Synonyms | 1-(adamantan-1-yl)-3-chloropropan-2-one,
26525-19-9,
1-((3r,5r,7r)-adamantan-1-yl)-3-chloropropan-2-one,
1-(1-adamantyl)-3-chloropropan-2-one,
BAS 12414104,
AC1MKRG4,
ZINC4488451,
1-adamantylmethyl chloromethyl ketone,
AKOS000651288,
MCULE-2325880652,
NE37518,
1-Adamantan-1-yl-3-chloro-propan-2-one,
F1970-0002,
CID3162033,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.744g/mol |
| Monoisotopic Mass | 226.112g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number