Nifursemizone

CAT: 0607-BA2225-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2225-25Size:25 mg

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

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CAS Number

5579-89-5

Form

A solid

Molecular Formula

C8H10N4O4

Molecular Weight

226.19

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Nifursemizone

CAS Number	5579-89-5
PubChem CID	9562728
IUPAC Name	1-ethyl-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
Molecular Formula	C8H10N4O4
Molecular Weight	226.19
XLogP	0.7
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	301

SMILES

CCN(C(=O)N)/N=C/C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C8H10N4O4/c1-2-11(8(9)13)10-5-6-3-4-7(16-6)12(14)15/h3-5H,2H2,1H3,(H2,9,13)/b10-5+

InChIKey

JGPNCLKRECLYTO-BJMVGYQFSA-N

Chemical Structure

2D Structure

CAS: 5579-89-5

CID: 9562728

Formula: C8H10N4O4

MW: 226.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.19
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	226.07020481
Monoisotopic Mass	226.07020481
Topological Polar Surface Area	118 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	301
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