| CAS Number | 53102-14-0 |
| Catalog Number | AG00DPWK(AGN-PC-0JKRLM) |
| Chemical Name | 3-Chlorocyclopent-2-en-1-one |
| IUPAC Name | 3-chlorocyclopent-2-en-1-one |
| InChI | InChI=1S/C5H5ClO/c6-4-1-2-5(7)3-4/h3H,1-2H2 |
| InChI Key | KGKOCLPNPRMNSQ-UHFFFAOYSA-N |
| MDL Number | MFCD11982991 |
| Molecular Formula | C5H5ClO |
| Molecular Weight | 116.5456 |
| SMILES | O=C1C=C(Cl)CC1 |
| Synonyms | 3-chlorocyclopent-2-en-1-one,
3-chlorocyclopent-2-enone,
2-Cyclopenten-1-one, 3-chloro-,
53102-14-0,
KGKOCLPNPRMNSQ-UHFFFAOYSA-N,
3-CHLORO-2-CYCLOPENTEN-1-ONE,
3-Chloro-cyclopent-2-enone,
SCHEMBL1464352,
DTXSID3075252,
CTK8J0503,
3-Chloro-2-cyclopenten-1-one #,
AC1L2441,
ZINC2004732,
BBL032126,
STK653009,
AKOS004900360,
MCULE-4481059890,
3-Chloro-2-cyclopenten-1-one, AldrichCPR,
CID40616,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.544g/mol |
| Monoisotopic Mass | 116.003g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number