| CAS Number | 885460-84-4 |
| Catalog Number | AG019K1U |
| Chemical Name | 2-chloro-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one |
| IUPAC Name | 2-chloro-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one |
| InChI | InChI=1S/C12H13ClO/c1-8(13)12(14)11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3 |
| InChI Key | CQOVKKPNERBRNR-UHFFFAOYSA-N |
| MDL Number | MFCD06655212 |
| Molecular Formula | C12H13ClO |
| Molecular Weight | 208.6840 |
| SMILES | CC(C(C1=CC2=C(CCC2)C=C1)=O)Cl |
| Synonyms | 2-chloro-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one,
885460-84-4,
AC1NJ8MS,
AC1Q1R3Q,
CTK6A2944,
AKOS009031232,
MCULE-4308472942,
NE13346,
EN300-10999,
ZINC04204325,
CID4868359,
|
| Complexity | 226 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number