| CAS Number | 22406-37-7 |
| Catalog Number | AG019X1U(AGN-PC-0WO2FG) |
| Chemical Name | 8-chloro-5-methyl-3,4-dihydro-2H-1-benzopyran-4-one |
| IUPAC Name | 8-chloro-5-methyl-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C10H9ClO2/c1-6-2-3-7(11)10-9(6)8(12)4-5-13-10/h2-3H,4-5H2,1H3 |
| InChI Key | DLVFGPLZDMJAEP-UHFFFAOYSA-N |
| MDL Number | MFCD11651650 |
| Molecular Formula | C10H9ClO2 |
| Molecular Weight | 196.6303 |
| SMILES | CC1=C2C(OCCC2=O)=C(Cl)C=C1 |
| Synonyms | 8-chloro-5-methyl-3,4-dihydro-2H-1-benzopyran-4-one,
22406-37-7,
AC1Q2GML,
SCHEMBL4654915,
CTK6G8909,
4H-1-Benzopyran-4-one, 8-chloro-2,3-dihydro-5-methyl-,
DLVFGPLZDMJAEP-UHFFFAOYSA-N,
ZINC36669618,
AKOS009393170,
NE55928,
EN300-53808,
AB01000675-01,
8-Chloro-5-methyl-2,3-dihydro-4H-chromen-4-one,
5-Methyl-8-chloro-2,3-dihydro-4H-1-benzopyran-4-one,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.63g/mol |
| Monoisotopic Mass | 196.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number