2,4-Dibromo-6-[(E)-[[(1R,2R)-2-(isoindolin-2-yl)-1,2-diphenylethyl]imino]methyl]phenol

Catalog Number	ACM1420042074-1
CAS	1420042-07-4
Synonyms	2,4-Dibromo-6-[[(1R,2R)-2-(1,3-dihydroisoindol-2-yl)-1,2-diphenylethyl]iminomethyl]phenol
IUPAC Name	2,4-dibromo-6-[[(1R,2R)-2-(1,3-dihydroisoindol-2-yl)-1,2-diphenylethyl]iminomethyl]phenol
Molecular Weight	576.32
Molecular Formula	C29H24Br2N2O
Canonical SMILES	C1C2=CC=CC=C2CN1C(C3=CC=CC=C3)C(C4=CC=CC=C4)N=CC5=C(C(=CC(=C5)Br)Br)O
InChI	AGQHXJKSKVNLJQ-VSGBNLITSA-N
InChI Key	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
Boiling Point	592.3±50.0 °C(Predicted)
Purity	93%
Complexity	649
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	576.02349
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isomeric SMILES	C1C2=CC=CC=C2CN1[C@H](C3=CC=CC=C3)[C@@H](C4=CC=CC=C4)N=CC5=C(C(=CC(=C5)Br)Br)O
Monoisotopic Mass	574.02554
Rotatable Bond Count	6
Topological Polar Surface Area	35.8 Ų