| CAS Number | 82827-58-5 |
| Catalog Number | AG00ID9J(AGN-PC-00KO9X) |
| Chemical Name | 5-(2-Bromoethoxy)-2,3-dihydro-1H-indene |
| IUPAC Name | 5-(2-bromoethoxy)-2,3-dihydro-1H-indene |
| InChI | InChI=1S/C11H13BrO/c12-6-7-13-11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2 |
| InChI Key | BOGDZQBNXLDUMW-UHFFFAOYSA-N |
| MDL Number | MFCD11173836 |
| Molecular Formula | C11H13BrO |
| Molecular Weight | 241.1243 |
| SMILES | BrCCOc1ccc2CCCc2c1 |
| Synonyms | 5-(2-BROMOETHOXY)-2,3-DIHYDRO-1H-INDENE,
82827-58-5,
1H-Indene, 5-(2-bromoethoxy)-2,3-dihydro-,
ZINC9245982,
MFCD11173836,
AKOS000345428,
AM805663,
CS-0038360,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.128g/mol |
| Monoisotopic Mass | 240.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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