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Miconazole Impurity H

CAT: 0572-TRC-M342490-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M342490-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
181931-30-6
Synonyms
1-[2-(2,4-Dichlorophenyl)-2-(phenylmethoxy)ethyl]-1H-Imidazole; Miconazole EP Impurity H
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
ClC(C=C(Cl)C=C1)=C1C(CN2C=CN=C2)OCC3=CC=CC=C3
Molecular Formula
C18H16Cl2N2O
Molecular Weight
347.24
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Miconazole Impurity H
CAS Number181931-30-6
PubChem CID76334268
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-phenylmethoxyethyl]imidazole
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.2
XLogP4.7
Topological Polar Surface Area27.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity352
SMILES
C1=CC=C(C=C1)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H16Cl2N2O/c19-15-6-7-16(17(20)10-15)18(11-22-9-8-21-13-22)23-12-14-4-2-1-3-5-14/h1-10,13,18H,11-12H2
InChIKey
CSENVQMNWOFZIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Miconazole Impurity H
CAS: 181931-30-6
CID: 76334268
Formula: C18H16Cl2N2O
MW: 347.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.2
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass346.0639685
Monoisotopic Mass346.0639685
Topological Polar Surface Area27.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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