| CAS Number | 879927-52-3 |
| Catalog Number | AG01AR1D(AGN-PC-0WCOG8) |
| Chemical Name | 4-(chloromethyl)-5-hydroxy-7-methyl-2H-chromen-2-one |
| IUPAC Name | 4-(chloromethyl)-5-hydroxy-7-methylchromen-2-one |
| InChI | InChI=1S/C11H9ClO3/c1-6-2-8(13)11-7(5-12)4-10(14)15-9(11)3-6/h2-4,13H,5H2,1H3 |
| InChI Key | LOAXNQQBFLSZEK-UHFFFAOYSA-N |
| MDL Number | MFCD06644488 |
| Molecular Formula | C11H9ClO3 |
| Molecular Weight | 224.6404 |
| SMILES | ClCC1=CC(OC2=CC(=CC(=C12)O)C)=O |
| Synonyms | 4-(chloromethyl)-5-hydroxy-7-methyl-2H-chromen-2-one,
879927-52-3,
4-(chloromethyl)-5-hydroxy-7-methylchromen-2-one,
SBB042303,
STK925033,
ZINC10272064,
AKOS000270838,
MCULE-6087057101,
ST50117090,
L-2704,
4-chloromethyl-5-hydroxy-7-methyl-2 h-chromen-2-one,
F3139-2859,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.64g/mol |
| Monoisotopic Mass | 224.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number