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chloro(1,3-diisopropyl-1,3-benzodiazol-2-ylidene)gold

chloro(1,3-diisopropyl-1,3-benzodiazol-2-ylidene)gold

CAS: 953820-59-2

Formula: C13H18AuClN2

SMILES: CC(C)N1C2=CC=CC=C2N(C(C)C)C1=[Au]Cl

IUPAC: [1,3-bis(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene](chloro)gold

InChI: InChI=1S/C13H18N2.Au.ClH/c1-10(2)14-9-15(11(3)4)13-8-6-5-7-12(13)14;;/h5-8,10-11H,1-4H3;;1H/q;+1;/p-1

Composition: C (35.92%), H (4.17%), Au (45.31%), Cl (8.15%), N (6.44%)

Molar Mass: 434.72

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 434.08242
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey DYQVPBAVIKIGFN-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity 71.49
Topological Polar Surface Area 6.48
Polarizability 33.42
Ring Count 2
Rotatable Bond Count 2

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