| CAS Number | 1461707-28-7 |
| Catalog Number | AG01ABMQ(AGN-PC-0WO1PG) |
| Chemical Name | 5,7-dichloro-3,4-dihydro-2H-1-benzopyran-4-ol |
| IUPAC Name | 5,7-dichloro-3,4-dihydro-2H-chromen-4-ol |
| InChI | InChI=1S/C9H8Cl2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7,12H,1-2H2 |
| InChI Key | UECZCGXIKKUAPT-UHFFFAOYSA-N |
| MDL Number | MFCD21295582 |
| Molecular Formula | C9H8Cl2O2 |
| Molecular Weight | 219.0646 |
| SMILES | OC1C2=C(C=C(C=C2Cl)Cl)OCC1 |
| Synonyms | 5,7-dichloro-3,4-dihydro-2H-1-benzopyran-4-ol,
1461707-28-7,
5,7-dichlorochroman-4-ol,
AKOS015090874,
NE27980,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.061g/mol |
| Monoisotopic Mass | 217.99g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number