AG003G1K

357209-32-6 | 2,6-Bis[(3aR,8aS)-(+)-8H-indeno[1,2-d]oxazolin-2-yl)pyridine

AG003G1K

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CAS Number	357209-32-6
Catalog Number	AG003G1K(AGN-PC-0RB6VD)
Chemical Name	2,6-Bis[(3aR,8aS)-(+)-8H-indeno[1,2-d]oxazolin-2-yl)pyridine
IUPAC Name	(3aS,8bR)-2-[6-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pyridin-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
InChI	InChI=1S/C25H19N3O2/c1-3-8-16-14(6-1)12-20-22(16)27-24(29-20)18-10-5-11-19(26-18)25-28-23-17-9-4-2-7-15(17)13-21(23)30-25/h1-11,20-23H,12-13H2/t20-,21-,22+,23+/m0/s1
InChI Key	BZSJUFJXCHHRHW-MYDTUXCISA-N
MDL Number	MFCD21604532
Molecular Formula	C25H19N3O2
Molecular Weight	393.4373
SMILES	C1[C@@H]2OC(=N[C@@H]2C2=CC=CC=C12)C1=CC=CC(=N1)C1=N[C@H]2[C@H](CC3=CC=CC=C23)O1
Synonyms	357209-32-6, 2,6-Bis((3aR,8aS)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine, (3aR,8aS)-in-pybox, 2,6-Bis[(3aR,8aS)-(+)-8H-indeno[1,2-d]oxazolin-2-yl)pyridine, 2,6-BIS[(3AR,8AS)-(+)-8H-INDENO[1,2-D]OXAZOLIN-2-YL]PYRIDINE, C25H19N3O2, DTXSID20479118, (3AR,3'aR,8aS,8'aS)-2,2'-(2,6-pyridinediyl)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole], 4466AB, 4467AB, 4468AB, ZINC38880549, CB-3684, SC11771, AJ-97057, ST24038778, 209A326, 2,6-bis((3aR,8aS)-3a,8a-dihydro-8H-indeno[1,2-d]oxazol-2-yl)pyridine, 2,6-Bis(3abeta,8abeta-dihydro-8H-indeno[1,2-d]oxazole-2-yl)pyridine, 2,6-Bis[(3aR,8aS)-(+)-8H-indeno[1,2-d]oxazolin-2-yl)pyridine, >=94%, (3aR,3 inverted exclamation markaaR,8aS,8 inverted exclamation markaaS)-2,2 inverted exclamation marka-(2,6-Pyridinediyl)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole, (3AR,3'AR,8AS,8'AS)-2,2'-(2,6-PYRIDINEDIYL)BIS3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLE, (3aR,3aR,8aS,8aS)-2,2-(2,6-Pyridinediyl)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]; 98%e.e., C8H8N2, C14H12N2O, 7-Methyl-1H-pyrrolo[3,2-c]pyridine, 7-(benzyloxy)-1H-pyrrolo[3,2-b]pyridine, 2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine, 2,6-Bis[(3aR,8aS)-( )-8H-indeno[1,2-d]oxazolin-2-yl)pyridine, 95% - 1G 1g, 185346-09-2, 357263-42-4, 357263-44-6,

Complexity	691
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	393.148g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	393.446g/mol
Monoisotopic Mass	393.148g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	56.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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