Ornidazole Impurity E

CAT: 1299-RM-O181405-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O181405-02Size:25 mg

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CAS Number

1100750-18-2

Synonyms

3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol

Molecular Formula

C7H9N3O3

Molecular Weight

183.16

Target Alternative Name

Ornidazole

Product Name Synonym

3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol

Chemical Information

3-Nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol

CAS Number	1100750-18-2
PubChem CID	25209514
IUPAC Name	3-nitro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
Molecular Formula	C7H9N3O3
Molecular Weight	183.16
XLogP	-0.1
Topological Polar Surface Area	83.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	218

SMILES

C1CC2=NC=C(N2CC1O)[N+](=O)[O-]

InChI

InChI=1S/C7H9N3O3/c11-5-1-2-6-8-3-7(10(12)13)9(6)4-5/h3,5,11H,1-2,4H2

InChIKey

JEVAXXKJSULOMY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1100750-18-2

CID: 25209514

Formula: C7H9N3O3

MW: 183.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.16
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	183.06439116
Monoisotopic Mass	183.06439116
Topological Polar Surface Area	83.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	218
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes