Ornidazole Impurity 88

CAT: 1299-RM-O181488-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O181488-01Size:10 mg

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

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CAS Number

147011-72-1

Synonyms

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

Molecular Formula

C7H11N3O3

Molecular Weight

185.18

Target Alternative Name

Ornidazole

Chemical Information

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

CAS Number	147011-72-1
PubChem CID	178245560
IUPAC Name	2-(2-methyl-4-nitroimidazol-1-yl)propan-1-ol
Molecular Formula	C7H11N3O3
Molecular Weight	185.18
XLogP	0.2
Topological Polar Surface Area	83.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	194

SMILES

CC1=NC(=CN1C(C)CO)[N+](=O)[O-]

InChI

InChI=1S/C7H11N3O3/c1-5(4-11)9-3-7(10(12)13)8-6(9)2/h3,5,11H,4H2,1-2H3

InChIKey

IJFFPODXOPEOAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 147011-72-1

CID: 178245560

Formula: C7H11N3O3

MW: 185.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.18
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	185.08004122
Monoisotopic Mass	185.08004122
Topological Polar Surface Area	83.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	194
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