| CAS Number | 1342559-20-9 |
| Catalog Number | AG01BXFV |
| Chemical Name | 6-Bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid |
| IUPAC Name | 6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid |
| InChI | InChI=1S/C11H11BrO3/c12-9-2-1-8-6-11(15,10(13)14)4-3-7(8)5-9/h1-2,5,15H,3-4,6H2,(H,13,14) |
| InChI Key | NOPUGZSZTHJYNB-UHFFFAOYSA-N |
| MDL Number | MFCD18850401 |
| Molecular Formula | C11H11BrO3 |
| Molecular Weight | 271.1072 |
| SMILES | BrC=1C=C2CCC(CC2=CC1)(C(=O)O)O |
| Synonyms | 6-bromo-2-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid,
1342559-20-9,
AKOS012941591,
Z2692093591,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.11g/mol |
| Monoisotopic Mass | 269.989g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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