Ornidazole Epoxide

CAT: 1299-RM-O181412-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O181412-01Size:10 mg

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CAS Number

16773-52-7

Synonyms

2-methyl-5-nitro-1- (oxiran-2-ylmethyl) -1H-imidazole

Molecular Formula

C7H9N3O3

Molecular Weight

183.16

Target Alternative Name

Ornidazole

Product Name Synonym

2-methyl-5-nitro-1- (oxiran-2-ylmethyl) -1H-imidazole

Chemical Information

1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole

CAS Number	16773-52-7
PubChem CID	86063
IUPAC Name	2-methyl-5-nitro-1-(oxiran-2-ylmethyl)imidazole
Molecular Formula	C7H9N3O3
Molecular Weight	183.16
XLogP	0
Topological Polar Surface Area	76.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	218

SMILES

CC1=NC=C(N1CC2CO2)[N+](=O)[O-]

InChI

InChI=1S/C7H9N3O3/c1-5-8-2-7(10(11)12)9(5)3-6-4-13-6/h2,6H,3-4H2,1H3

InChIKey

NLXRQOREXATYEE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16773-52-7

CID: 86063

Formula: C7H9N3O3

MW: 183.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.16
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	183.06439116
Monoisotopic Mass	183.06439116
Topological Polar Surface Area	76.2 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

Catalog	Name
AR-O01470-01	Ornidazole Epoxide
B1996-5.1	Ornidazole