| CAS Number | 554423-21-1 |
| Catalog Number | AG00DBCG |
| Chemical Name | 4-(chloromethyl)-7-ethyl-2H-chromen-2-one |
| IUPAC Name | 4-(chloromethyl)-7-ethylchromen-2-one |
| InChI | InChI=1S/C12H11ClO2/c1-2-8-3-4-10-9(7-13)6-12(14)15-11(10)5-8/h3-6H,2,7H2,1H3 |
| InChI Key | MXSFELXUKWXHOZ-UHFFFAOYSA-N |
| MDL Number | MFCD03980934 |
| Molecular Formula | C12H11ClO2 |
| Molecular Weight | 222.6675 |
| SMILES | CCC1=CC2=C(C(=CC(O2)=O)CCl)C=C1 |
| Synonyms | 4-Chloromethyl-7-ethyl-chromen-2-one,
4-(chloromethyl)-7-ethyl-2H-chromen-2-one,
554423-21-1,
Enamine_005590,
AC1Q2TQA,
AC1M781L,
CTK6D1915,
HMS1409O02,
ZINC3321767,
AKOS000116508,
MCULE-1305482980,
NE12743,
4-(chloromethyl)-7-ethylchromen-2-one,
EN300-05669,
SR-01000042673,
J-515158,
SR-01000042673-1,
ZINC03321767,
CID2437243,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.668g/mol |
| Monoisotopic Mass | 222.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number