Basic Orange2

CAT: 1489-C7080Size: 5 gDry Ice: NoHazardous: No

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CAT#:1489-C7080Size:5 g

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CAS Number

532-82-1

Chemical Information

C.I. Basic Orange 2

Chrysoidine is an organic molecular entity.

CAS Number	532-82-1
PubChem CID	10771
IUPAC Name	4-phenyldiazenylbenzene-1,3-diamine;hydrochloride
Molecular Formula	C12H13ClN4
Molecular Weight	248.71
Topological Polar Surface Area	76.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	235

SMILES

C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N)N.Cl

InChI

InChI=1S/C12H12N4.ClH/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;/h1-8H,13-14H2;1H

InChIKey

MCTQNEBFZMBRSQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 532-82-1

CID: 10771

Formula: C12H13ClN4

MW: 248.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.71
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	248.0828741
Monoisotopic Mass	248.0828741
Topological Polar Surface Area	76.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	235
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

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