| CAS Number | 74277-66-0 |
| Catalog Number | AG00FHJF(AGN-PC-0WOJ4X) |
| Chemical Name | 6-Chloro-7-hydroxychroman-4-one |
| IUPAC Name | 6-chloro-7-hydroxy-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C9H7ClO3/c10-6-3-5-7(11)1-2-13-9(5)4-8(6)12/h3-4,12H,1-2H2 |
| InChI Key | FAVCXTXNWXODPJ-UHFFFAOYSA-N |
| MDL Number | MFCD09788606 |
| Molecular Formula | C9H7ClO3 |
| Molecular Weight | 198.6031 |
| SMILES | O=C1CCOC2=C1C=C(Cl)C(O)=C2 |
| Synonyms | 6-CHLORO-7-HYDROXYCHROMAN-4-ONE,
74277-66-0,
6-chloro-7-hydroxy-4-chromanone,
SCHEMBL1569739,
CTK7H4281,
DTXSID60605757,
FAVCXTXNWXODPJ-UHFFFAOYSA-N,
5972AH,
AR2687,
MFCD09788606,
ZINC35287402,
AKOS006327747,
AS-45415,
X-2244,
A1-08106,
6-Chloro-7-hydroxy-2,3-dihydro-4H-1-benzopyran-4-one,
6-chloro-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one,
C9H7ClO3,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.602g/mol |
| Monoisotopic Mass | 198.008g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number