| CAS Number | 1132943-97-5 |
| Catalog Number | AG00HCOU |
| Chemical Name | METHYL 5-BROMO-1-METHYL-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLATE |
| IUPAC Name | methyl 5-bromo-1-methyl-2,3-dihydroindene-1-carboxylate |
| InChI | InChI=1S/C12H13BrO2/c1-12(11(14)15-2)6-5-8-7-9(13)3-4-10(8)12/h3-4,7H,5-6H2,1-2H3 |
| InChI Key | SERVUJOTRAMXJZ-UHFFFAOYSA-N |
| MDL Number | MFCD25542312 |
| Molecular Formula | C12H13BrO2 |
| Molecular Weight | 269.1344 |
| SMILES | COC(=O)C1(C)CCc2c1ccc(c2)Br |
| Synonyms | METHYL 5-BROMO-1-METHYL-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLATE,
1132943-97-5,
SCHEMBL1530178,
SERVUJOTRAMXJZ-UHFFFAOYSA-N,
(rac)-5-Bromo-1-methyl-indan-1-carboxylic acid methyl ester,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.138g/mol |
| Monoisotopic Mass | 268.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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