| CAS Number | 66411-24-3 |
| Catalog Number | AG01BF4G(AGN-PC-0WORRR) |
| Chemical Name | 8-Chloro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
| IUPAC Name | 5-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid |
| InChI | InChI=1S/C9H7ClO4/c10-6-2-1-5(9(11)12)7-8(6)14-4-3-13-7/h1-2H,3-4H2,(H,11,12) |
| InChI Key | RHTLNBSAROMJMO-UHFFFAOYSA-N |
| MDL Number | MFCD24497994 |
| Molecular Formula | C9H7ClO4 |
| Molecular Weight | 214.6025 |
| SMILES | OC(C1=C2C(OCCO2)=C(Cl)C=C1)=O |
| Synonyms | 8-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid,
66411-24-3,
SCHEMBL9388924,
RHTLNBSAROMJMO-UHFFFAOYSA-N,
ZINC98096551,
AKOS026417824,
NE52531,
8-chloro-1,4-benzodioxane-5-carboxylic acid,
Z1889706353,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.601g/mol |
| Monoisotopic Mass | 214.003g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number