| CAS Number | 1258650-25-7 |
| Catalog Number | AG01ABFG(AGN-PC-0WOUVJ) |
| Chemical Name | 2,3-dihydro-1H-isoindole-5-carboxylic acid hydrobromide |
| IUPAC Name | 2,3-dihydro-1H-isoindole-5-carboxylic acid;hydrobromide |
| InChI | InChI=1S/C9H9NO2.BrH/c11-9(12)6-1-2-7-4-10-5-8(7)3-6;/h1-3,10H,4-5H2,(H,11,12);1H |
| InChI Key | FRVDLQQVRKUAEU-UHFFFAOYSA-N |
| MDL Number | MFCD17977147 |
| Molecular Formula | C9H10BrNO2 |
| Molecular Weight | 244.0852 |
| SMILES | Br.OC(C1=CC2=C(CNC2)C=C1)=O |
| Synonyms | 2,3-dihydro-1H-isoindole-5-carboxylic acid hydrobromide,
1258650-25-7,
AC1Q23NP,
AKOS026676493,
MCULE-1619977190,
NE41914,
EN300-71471,
Z1273089261,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.088g/mol |
| Monoisotopic Mass | 242.989g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number