| CAS Number | 1420042-07-4 |
| Catalog Number | AG00IMGE(AGN-PC-0WQUMB) |
| Chemical Name | 2,4-Dibromo-6-[(E)-[[(1R,2R)-2-(isoindolin-2-yl)-1,2-diphenylethyl]imino]methyl]phenol |
| IUPAC Name | 2,4-dibromo-6-[[(1R,2R)-2-(1,3-dihydroisoindol-2-yl)-1,2-diphenylethyl]iminomethyl]phenol |
| InChI | InChI=1S/C29H24Br2N2O/c30-25-15-24(29(34)26(31)16-25)17-32-27(20-9-3-1-4-10-20)28(21-11-5-2-6-12-21)33-18-22-13-7-8-14-23(22)19-33/h1-17,27-28,34H,18-19H2/t27-,28-/m1/s1 |
| InChI Key | AGQHXJKSKVNLJQ-VSGBNLITSA-N |
| MDL Number | MFCD30725749 |
| Molecular Formula | C29H24Br2N2O |
| Molecular Weight | 576.3217 |
| SMILES | OC1=C(Br)C=C(Br)C=C1C=N[C@@H]([C@H](N1CC2=C(C1)C=CC=C2)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonyms | 2,4-Dibromo-6-[(E)-[[(1R,2R)-2-(isoindolin-2-yl)-1,2-diphenylethyl]imino]methyl]phenol,
SCHEMBL19741701,
1420042-07-4,
D5160,
J3.497.426H,
(1R,2R)-2-(Isoindoline-2-yl)-N-(2-hydroxy-3,5-dibromobenzylidene)-1,2-diphenylethanamine,
|
| Complexity | 649 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 576.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 576.332g/mol |
| Monoisotopic Mass | 574.026g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number