Nifuroxazide

CAT: 0024-sc-204128ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-204128ASize:5 g

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CAS Number

965-52-6

Chemical Information

Nifuroxazide

Nifuroxazide is a member of benzoic acids.

CAS Number	965-52-6
PubChem CID	5337997
IUPAC Name	4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Molecular Formula	C12H9N3O5
Molecular Weight	275.22
XLogP	2.1
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	387

SMILES

C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])O

InChI

InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+

InChIKey

YCWSUKQGVSGXJO-NTUHNPAUSA-N

Chemical Structure

2D Structure

CAS: 965-52-6

CID: 5337997

Formula: C12H9N3O5

MW: 275.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.22
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	275.05422040
Monoisotopic Mass	275.05422040
Topological Polar Surface Area	121 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	387
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T1563-01	Nifuroxazide
HY-B1436S-01	Nifuroxazide-d4