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(1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene)(chloro)gold

Catalog Number ACM852445831-2
CAS 852445-83-1
Structure (1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene)(chloro)gold
Synonyms Chloro[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]gold(I)
Molecular Weight 621
Molecular Formula C27H36AuClN2
Canonical SMILES CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN(C2=[Au]Cl)C3=C(C=CC=C3C(C)C)C(C)C
InChI InChI=1S/C27H36N2.Au.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;/h9-16,18-21H,1-8H3;1H/q;+1;/p-1
InChI Key CNJQLSINQGKZAW-UHFFFAOYSA-M
Melting Point 298 °C
Purity 98%
Appearance Powder
Exact Mass 620.223272
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
Monoisotopic Mass 620.223272
Rotatable Bond Count 6
Topological Polar Surface Area 6.5 Ų

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