Ornidazole Impurity G

CAT: 1299-RM-O181407-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-O181407-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

16935-05-0

Synonyms

1- (2-methyl-4-nitro-1H-imidazol-1-yl) propan-2-one

Molecular Formula

C7H9N3O3

Molecular Weight

183.16

Target Alternative Name

Ornidazole

Product Name Synonym

1- (2-methyl-4-nitro-1H-imidazol-1-yl) propan-2-one

Chemical Information

1-(2-methyl-4-nitro-1H-imidazol-1-yl)-2-Propanone

CAS Number	16935-05-0
PubChem CID	12435306
IUPAC Name	1-(2-methyl-4-nitroimidazol-1-yl)propan-2-one
Molecular Formula	C7H9N3O3
Molecular Weight	183.16
XLogP	0
Topological Polar Surface Area	80.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	226

SMILES

CC1=NC(=CN1CC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C7H9N3O3/c1-5(11)3-9-4-7(10(12)13)8-6(9)2/h4H,3H2,1-2H3

InChIKey

BRCUGZFLEIKUQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16935-05-0

CID: 12435306

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	80.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	226
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