| CAS Number | 1199782-82-5 |
| Catalog Number | AG008UDW(AGN-PC-0PE2J1) |
| Chemical Name | 5-Chloro-4-chromanone |
| IUPAC Name | 5-chloro-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C9H7ClO2/c10-6-2-1-3-8-9(6)7(11)4-5-12-8/h1-3H,4-5H2 |
| InChI Key | XNDCOZXJBUCGSS-UHFFFAOYSA-N |
| MDL Number | MFCD09744049 |
| Molecular Formula | C9H7ClO2 |
| Molecular Weight | 182.6037 |
| SMILES | O=C1CCOc2c1c(Cl)ccc2 |
| Synonyms | 5-Chloro-4-Chromanone,
1199782-82-5,
5-chloro-2,3-dihydrochromen-4-one,
5-chlorochroman-4-one,
PubChem17919,
SCHEMBL12431229,
DTXSID40670468,
ZINC49588566,
AKOS015915132,
CS-0061695,
5-Chloro-2,3-dihydro-4H-1-benzopyran-4-one,
4H-1-Benzopyran-4-one, 5-chloro-2,3-dihydro-,
I14-7359,
Not Available,
cc-567,
ACN-054641,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.603g/mol |
| Monoisotopic Mass | 182.013g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number