| CAS Number | 76301-94-5 |
| Catalog Number | AG01ABLB(AGN-PC-00OH06) |
| Chemical Name | 6-Chloro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid |
| IUPAC Name | 6-chloro-3,4-dihydro-2H-chromene-4-carboxylic acid |
| InChI | InChI=1S/C10H9ClO3/c11-6-1-2-9-8(5-6)7(10(12)13)3-4-14-9/h1-2,5,7H,3-4H2,(H,12,13) |
| InChI Key | KDOXMLTXESQYSR-UHFFFAOYSA-N |
| MDL Number | MFCD16308451 |
| Molecular Formula | C10H9ClO3 |
| Molecular Weight | 212.6297 |
| SMILES | c1cc2c(cc1Cl)C(CCO2)C(=O)O |
| Synonyms | 6-chloro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid,
76301-94-5,
CHEMBL443271,
SCHEMBL1846189,
6-chlorochroman-4-carboxylic acid,
KDOXMLTXESQYSR-UHFFFAOYSA-N,
2H-1-Benzopyran-4-carboxylic acid, 6-chloro-3,4-dihydro-,
6-Chloro-chroman-4-carboxylic acid,
BDBM50022413,
AKOS017554613,
NE40403,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.629g/mol |
| Monoisotopic Mass | 212.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number