Nifurpirinol

CAT: 0607-BA1031-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1031-50Size:50 mg

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

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CAS Number

13411-16-0

Form

A solid

Molecular Formula

C12H10N2O4

Molecular Weight

246.22

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Nifurpirinol

Nifurpirinol is a member of furans and a C-nitro compound.

CAS Number	13411-16-0
PubChem CID	6436061
IUPAC Name	[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol
Molecular Formula	C12H10N2O4
Molecular Weight	246.22
XLogP	1.1
Topological Polar Surface Area	92.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	316

SMILES

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

InChI

InChI=1S/C12H10N2O4/c15-8-10-3-1-2-9(13-10)4-5-11-6-7-12(18-11)14(16)17/h1-7,15H,8H2/b5-4+

InChIKey

JQKHJQJVKRFMCO-SNAWJCMRSA-N

Chemical Structure

2D Structure

CAS: 13411-16-0

CID: 6436061

Formula: C12H10N2O4

MW: 246.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.22
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	246.06405680
Monoisotopic Mass	246.06405680
Topological Polar Surface Area	92.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	316
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
584851	Nifurpirinol
HY-135470R-01	Nifurpirinol (Standard)