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4-(dimethylamino)-1-(2,2,2-trifluoroacetyl)pyridin-1-ium trifluoroacetate

4-(dimethylamino)-1-(2,2,2-trifluoroacetyl)pyridin-1-ium trifluoroacetate

CAS: 181828-01-3

Formula: C11H10F6N2O3

SMILES: [O-]C(=O)C(F)(F)F.CN(C)C1=CC=[N+](C=C1)C(=O)C(F)(F)F

IUPAC: 4-(dimethylamino)-1-(2,2,2-trifluoroacetyl)pyridin-1-ium trifluoroacetate

InChI: InChI=1S/C9H10F3N2O.C2HF3O2/c1-13(2)7-3-5-14(6-4-7)8(15)9(10,11)12;3-2(4,5)1(6)7/h3-6H,1-2H3;(H,6,7)/q+1;/p-1

Composition: C (39.77%), H (3.03%), F (34.31%), N (8.43%), O (14.45%)

Molar Mass: 332.202

Atom Count: 32

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 332.059561168
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GOSOPAPEXLJAEZ-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 49.87
Topological Polar Surface Area 24.19
Polarizability 17.68
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
98% <14 Days 181828-01-3 Quote Only