| CAS Number | 1499315-74-0 |
| Catalog Number | AG01B7KO(AGN-PC-0WOT3B) |
| Chemical Name | 5'-Bromo-2',3'-dihydrospiro[cyclopropane-1,1'-indene]-3-carboxylic acid |
| IUPAC Name | 6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid |
| InChI | InChI=1S/C12H11BrO2/c13-8-1-2-9-7(5-8)3-4-12(9)6-10(12)11(14)15/h1-2,5,10H,3-4,6H2,(H,14,15) |
| InChI Key | YAAQTJRXJDFALA-UHFFFAOYSA-N |
| MDL Number | MFCD24149447 |
| Molecular Formula | C12H11BrO2 |
| Molecular Weight | 267.1185 |
| SMILES | OC(C1C2(C3=C(C=C(C=C3)Br)CC2)C1)=O |
| Synonyms | 1499315-74-0,
5'-bromo-2',3'-dihydrospiro[cyclopropane-1,1'-indene]-3-carboxylic acid,
SCHEMBL19030572,
AKOS020276427,
Z1983079344,
5'-bromospiro[cyclopropane-2,1'-indane]-1-carboxylic acid,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.122g/mol |
| Monoisotopic Mass | 265.994g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number