| CAS Number | 1000546-99-5 |
| Catalog Number | AG00IOH5(AGN-PC-0WASNR) |
| Chemical Name | 2-[2-(3-bromophenyl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione |
| IUPAC Name | 2-[2-(3-bromophenyl)ethyl]isoindole-1,3-dione |
| InChI | InChI=1S/C16H12BrNO2/c17-12-5-3-4-11(10-12)8-9-18-15(19)13-6-1-2-7-14(13)16(18)20/h1-7,10H,8-9H2 |
| InChI Key | VSVIMYZQMZQXKH-UHFFFAOYSA-N |
| MDL Number | MFCD09923439 |
| Molecular Formula | C16H12BrNO2 |
| Molecular Weight | 330.1760 |
| SMILES | [Br]C1(=CC(=CC=C1)CCN2(C(=O)C3(=CC=CC=C3(C2=O)))) |
| Synonyms | 2-[2-(3-bromophenyl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione,
1000546-99-5,
SCHEMBL1128881,
KS-00001V4V,
ZINC44367312,
AKOS022193622,
2X-5027,
A1-08344,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.181g/mol |
| Monoisotopic Mass | 329.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number