Disperse Orange 3

CAT: 0024-sc-252759Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-252759Size:100 mg

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CAS Number

730-40-5

Chemical Information

Disperse orange 3

4-(4-nitrophenylazo)aniline is azobenzene substituted at the phenyl 4-positions by an amino and a nitro group. It has a role as a dye and an allergen. It is a member of azobenzenes and a primary arylamine. It is functionally related to an azobenzene.

CAS Number	730-40-5
PubChem CID	12896
IUPAC Name	4-[(4-nitrophenyl)diazenyl]aniline
Molecular Formula	C12H10N4O2
Molecular Weight	242.23
XLogP	3.2
Topological Polar Surface Area	96.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	300

SMILES

C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O2/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)16(17)18/h1-8H,13H2

InChIKey

UNBOSJFEZZJZLR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 730-40-5

CID: 12896

Formula: C12H10N4O2

MW: 242.23

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	242.23
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	242.08037557
Monoisotopic Mass	242.08037557
Topological Polar Surface Area	96.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	300
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

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