Nibroxane

CAT: 0931-T89094-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T89094-03Size:100 mg

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

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CAS Number

53983-00-9

Bioactivity

Nibroxane is an orally active antimicrobial agent that metabolizes into 2-methyl-5-nitro-m-dioxane in mice.

Smiles

O=N(=O)C1(Br)COC(OC1)C

Molecular Formula

C5H8BrNO4

Molecular Weight

226.03

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Nibroxane

structure

CAS Number	53983-00-9
PubChem CID	40955
IUPAC Name	5-bromo-2-methyl-5-nitro-1,3-dioxane
Molecular Formula	C5H8BrNO4
Molecular Weight	226.03
XLogP	0.7
Topological Polar Surface Area	64.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	160

SMILES

CC1OCC(CO1)([N+](=O)[O-])Br

InChI

InChI=1S/C5H8BrNO4/c1-4-10-2-5(6,3-11-4)7(8)9/h4H,2-3H2,1H3

InChIKey

VFBSFSGHILWWIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53983-00-9

CID: 40955

Formula: C5H8BrNO4

MW: 226.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.03
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	224.96367
Monoisotopic Mass	224.96367
Topological Polar Surface Area	64.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160
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

Catalog	Name
HY-126185	Nibroxane