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Hydroxy ipronidazole

CAT: 0926-FH24022-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FH24022-02Size:50 mg
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CAS Number
35175-14-5
Synonyms
A, a,1-Trimethyl-5-nitro-1H-imidazole-2-methanol
MDL Number
MFCD07366663
Smiles
CC (C) (C1=NC=C (N1C) [N+] (=O) [O-]) O
Molecular Formula
C7H11N3O3
Molecular Weight
185.18 g/mol
Controlled
No

Chemical Information

Hydroxyipronidazole

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CAS Number35175-14-5
PubChem CID598402
IUPAC Name2-(1-methyl-5-nitroimidazol-2-yl)propan-2-ol
Molecular FormulaC7H11N3O3
Molecular Weight185.18
XLogP-0.5
Topological Polar Surface Area83.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity214
SMILES
CC(C)(C1=NC=C(N1C)[N+](=O)[O-])O
InChI
InChI=1S/C7H11N3O3/c1-7(2,11)6-8-4-5(9(6)3)10(12)13/h4,11H,1-3H3
InChIKey
DTHPMNDYKOSVFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxyipronidazole
CAS: 35175-14-5
CID: 598402
Formula: C7H11N3O3
MW: 185.18
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.18
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass185.08004122
Monoisotopic Mass185.08004122
Topological Polar Surface Area83.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity214
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-W-00168Hydroxy Ipronidazole
HY-135212SHydroxy ipronidazole-d3
HY-135212RHydroxy ipronidazole (Standard)
014948Ipronidazole

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