| CAS Number | 27408-86-2 |
| Catalog Number | AG01ELOJ |
| Chemical Name | 2-(4-methoxyphenyl)-2,3-dihydro-1H-isoindol-1-imine |
| IUPAC Name | 2-(4-methoxyphenyl)-3H-isoindol-1-imine |
| InChI | InChI=1S/C15H14N2O/c1-18-13-8-6-12(7-9-13)17-10-11-4-2-3-5-14(11)15(17)16/h2-9,16H,10H2,1H3 |
| InChI Key | SAYIJICQEQJLRO-UHFFFAOYSA-N |
| MDL Number | MFCD00525131 |
| Molecular Formula | C15H14N2O |
| Molecular Weight | 238.2845 |
| SMILES | COC1=CC=C(N2C(=N)C3=C(C=CC=C3)C2)C=C1 |
| Synonyms | 2-(4-methoxyphenyl)-3H-isoindol-1-imine,
AC1LF2BO,
ZINC6793806,
AKOS000260238,
SR-01000396224,
SR-01000396224-1,
2-(4-methoxyphenyl)-2,3-dihydro-1H-isoindol-1-imine,
27408-86-2,
CID745708,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.29g/mol |
| Monoisotopic Mass | 238.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number