Cupferron

CAT: 0063-19085697-02Size: 1 KgDry Ice: NoHazardous: No

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CAT#:0063-19085697-02Size:1 Kg

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CAS Number

135-20-6

Chemical Information

Cupferron

Cupferron can cause cancer according to an independent committee of scientific and health experts.

CAS Number	135-20-6
PubChem CID	2724103
IUPAC Name	azanium N-oxido-N-phenylnitrous amide
Molecular Formula	C6H9N3O2
Molecular Weight	155.15
Topological Polar Surface Area	56.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	112

SMILES

C1=CC=C(C=C1)N(N=O)[O-].[NH4+]

InChI

InChI=1S/C6H5N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5H;1H3/q-1;/p+1

InChIKey

GDEBSAWXIHEMNF-UHFFFAOYSA-O

Chemical Structure

2D Structure

CAS: 135-20-6

CID: 2724103

Formula: C6H9N3O2

MW: 155.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.15
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	155.069476538
Monoisotopic Mass	155.069476538
Topological Polar Surface Area	56.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	112
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	2
Compound Is Canonicalized	Yes

Catalog	Name
573598	Cupferron
00902 00100	Cupferron AR
GTR19193376-01	Neo-cupferron
C27130	Cupferron 97%
236979-01	Cupferron 98+%
10110004-2	Cupferron (Baudisch's Reagent)