| CAS Number | 1273596-20-5 |
| Catalog Number | AG00HRP4(AGN-PC-0WQXR4) |
| Chemical Name | 7-BROMO-3-OXO-2,3-DIHYDRO-1H-INDENE-5-CARBOXYLIC ACID |
| IUPAC Name | 7-bromo-3-oxo-1,2-dihydroindene-5-carboxylic acid |
| InChI | InChI=1S/C10H7BrO3/c11-8-4-5(10(13)14)3-7-6(8)1-2-9(7)12/h3-4H,1-2H2,(H,13,14) |
| InChI Key | HYDNZQPQWFHSEP-UHFFFAOYSA-N |
| MDL Number | MFCD18647964 |
| Molecular Formula | C10H7BrO3 |
| Molecular Weight | 255.0648 |
| SMILES | O=C(C1=CC2=C(CCC2=O)C(Br)=C1)O |
| Synonyms | 7-Bromo-3-oxo-2,3-dihydro-1H-indene-5-carboxylic acid,
1273596-20-5,
MFCD18647964,
AKOS027251185,
ZINC238716750,
AS-39952,
7-Bromo-2, 3-dihydro-3-oxo-1H-indene-5carboxylic acid,
7-Bromo-2,3-dihydro-3-oxo-1H-indene-5carboxylicacid,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.067g/mol |
| Monoisotopic Mass | 253.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number