| CAS Number | 113364-57-1 |
| Catalog Number | AG00HCP2(AGN-PC-00NXTG) |
| Chemical Name | 3-Bromo-1-Indan-5-Yl-Propan-1-One |
| IUPAC Name | 3-bromo-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one |
| InChI | InChI=1S/C12H13BrO/c13-7-6-12(14)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2 |
| InChI Key | VUQOQAUOKOWPMU-UHFFFAOYSA-N |
| MDL Number | MFCD19238848 |
| Molecular Formula | C12H13BrO |
| Molecular Weight | 253.1350 |
| SMILES | BrCCC(=O)c1ccc2CCCc2c1 |
| Synonyms | 3-Bromo-1-indan-5-yl-propan-1-one,
113364-57-1,
3-Bromo-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one,
MFCD19238848,
ZINC57666411,
AM805538,
CS-0038701,
1-Propanone, 3-bromo-1-(2,3-dihydro-1H-inden-5-yl)-,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.139g/mol |
| Monoisotopic Mass | 252.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number