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miconazole nitrate

miconazole nitrate

CAS: 22832-87-7

Formula: C18H15Cl4N3O4

SMILES: O[N+]([O-])=O.ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CC=C(Cl)C=C1Cl

IUPAC: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole; nitric acid

InChI: InChI=1/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)

Composition: C (45.12%), H (3.16%), Cl (29.60%), N (8.77%), O (13.36%)

Molar Mass: 479.14

Atom Count: 44

Heavy Atom Count: 29

Properties
Properties
Common Names miconazole nitrate
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 476.9816668
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MCCACAIVAXEFAL-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 103.07
Topological Polar Surface Area 27.05
Polarizability 40.01
Ring Count 3
Rotatable Bond Count 6

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