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Misonidazole

CAT: 0926-NAA55187-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-NAA55187-02Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13551-87-6
MDL Number
MFCD28400586
Smiles
COCC (CN1C=CN=C1[N+] (=O) [O-]) O
Molecular Formula
C7H11N3O4
Molecular Weight
201.18 g/mol
Controlled
No

Chemical Information

Misonidazole

Misonidazole is an organic molecular entity.

CAS Number13551-87-6
PubChem CID26105
IUPAC Name1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol
Molecular FormulaC7H11N3O4
Molecular Weight201.18
XLogP-0.4
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity196
SMILES
COCC(CN1C=CN=C1[N+](=O)[O-])O
InChI
InChI=1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3
InChIKey
OBBCSXFCDPPXOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Misonidazole
CAS: 13551-87-6
CID: 26105
Formula: C7H11N3O4
MW: 201.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.18
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass201.07495584
Monoisotopic Mass201.07495584
Topological Polar Surface Area93.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity196
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

Alternative Products

CatalogName
HY-105061-01Misonidazole
TRC-M368702-100MGMisonidazole-d3

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