| CAS Number | 1367072-18-1 |
| Catalog Number | AG009YYC(AGN-PC-0WNW6R) |
| Chemical Name | 1H-Indene-2-acetic acid, 4-broMo-2,3-dihydro- |
| IUPAC Name | 2-(4-bromo-2,3-dihydro-1H-inden-2-yl)acetic acid |
| InChI | InChI=1S/C11H11BrO2/c12-10-3-1-2-8-4-7(5-9(8)10)6-11(13)14/h1-3,7H,4-6H2,(H,13,14) |
| InChI Key | HSYQFRSSVYDCLX-UHFFFAOYSA-N |
| MDL Number | MFCD22178149 |
| Molecular Formula | C11H11BrO2 |
| Molecular Weight | 255.1078 |
| SMILES | OC(=O)CC1Cc2cccc(Br)c2C1 |
| Synonyms | 2-(4-BROMO-2,3-DIHYDRO-1H-INDEN-2-YL)ACETIC ACID,
1367072-18-1,
1H-Indene-2-acetic acid, 4-bromo-2,3-dihydro-,
AKOS023498291,
1H-?Indene-?2-?acetic acid,4-?bromo-?2,?3-?dihydro-,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.111g/mol |
| Monoisotopic Mass | 253.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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