(1R,2R)-(-)-[1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butylsalicylidene)]chromium(III) chloride

• CAS: 164931-83-3
• Catalog Number: ACM164931833-1
• Category: Other Products
• Molecular Weight: 705.2
• Molecular Formula: C36H54Cl3CrN2O2
• Synonyms: 2,4-Ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;trichlorochromium
• IUPAC Name: 2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;trichlorochromium
• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NC2CCCCC2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O.Cl[Cr](Cl)Cl
• InChI: InChI=1S/C36H54N2O2.3ClH.Cr/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;/h17-22,29-30,39-40H,13-16H2,1-12H3;3*1H;/q;+3/p-3/t29-,30-;/m1/s1
• InChI Key: ABSDVGHEFTVUQG-ZYOJYBKFSA-K
• Melting Point: >350 °C
• Appearance: Powder
• Complexity: 801
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 2
• Exact Mass: 703.265592
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 44
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=N[C@@H]2CCCC[C@H]2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O.Cl[Cr](Cl)Cl
• Monoisotopic Mass: 703.265592
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 65.2 Ų