| CAS Number | 405103-26-6 |
| Catalog Number | AG01C5C0 |
| Chemical Name | 6-Bromo-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid |
| IUPAC Name | 6-bromo-3,4-dihydro-2H-chromene-4-carboxylic acid |
| InChI | InChI=1S/C10H9BrO3/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 | DHBMXWGCQVIQMR-UHFFFAOYSA-N |
| MDL Number | MFCD24107243 |
| Molecular Formula | C10H9BrO3 |
| Molecular Weight | 257.0807 |
| SMILES | BrC=1C=CC2=C(C(CCO2)C(=O)O)C1 |
| Synonyms | 6-bromo-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid,
405103-26-6,
SCHEMBL1843412,
6-bromochroman-4-carboxylic acid,
DHBMXWGCQVIQMR-UHFFFAOYSA-N,
AKOS020008647,
Z2442102818,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.083g/mol |
| Monoisotopic Mass | 255.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number