| CAS Number | 1132943-94-2 |
| Catalog Number | AG003MGC(AGN-PC-0WAKV9) |
| Chemical Name | 5-Bromo-2,3-dihydro-1H-indene-1-carboxylic acid |
| IUPAC Name | 5-bromo-2,3-dihydro-1H-indene-1-carboxylic acid |
| InChI | InChI=1S/C10H9BrO2/c11-7-2-4-8-6(5-7)1-3-9(8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13) |
| InChI Key | RHHOBLZUVLGGBU-UHFFFAOYSA-N |
| MDL Number | MFCD11219724 |
| Molecular Formula | C10H9BrO2 |
| Molecular Weight | 241.0813 |
| SMILES | O=C(C1CCC2=C1C=CC(Br)=C2)O |
| Synonyms | 5-bromo-2,3-dihydro-1h-indene-1-carboxylic acid,
1132943-94-2,
SCHEMBL1530402,
RHHOBLZUVLGGBU-UHFFFAOYSA-N,
MFCD11219724,
AKOS017561030,
TRA0075846,
(rac)-5-Bromo-indan-1-carboxylic acid,
5 - Bromo - 2,3 - dihydro - 1H - inden - 1 - carboxylic acid,
5-Bromo-2,3-dihydro-1H-inden-1-carboxylicacid,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.084g/mol |
| Monoisotopic Mass | 239.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number