Dimetridazole-2-Hydroxy

CAT: 1299-RG-A260982-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260982-01Size:10 mg

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CAS Number

936-05-0

Synonyms

Dimetridazole-2-hydroxy

Molecular Formula

C5H7N3O3

Molecular Weight

157.13

Target Alternative Name

Dimetridazole

Product Name Synonym

Dimetridazole-2-hydroxy

Chemical Information

2-Hydroxymethyl-1-methyl-5-nitroimidazole

CAS Number	936-05-0
PubChem CID	557356
IUPAC Name	(1-methyl-5-nitroimidazol-2-yl)methanol
Molecular Formula	C5H7N3O3
Molecular Weight	157.13
XLogP	-0.4
Topological Polar Surface Area	83.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	158

SMILES

CN1C(=CN=C1CO)[N+](=O)[O-]

InChI

InChI=1S/C5H7N3O3/c1-7-4(3-9)6-2-5(7)8(10)11/h2,9H,3H2,1H3

InChIKey

JSAQDPJIVQMBAY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 936-05-0

CID: 557356

Formula: C5H7N3O3

MW: 157.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.13
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	157.04874109
Monoisotopic Mass	157.04874109
Topological Polar Surface Area	83.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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