Indocyanine Green Impurity 4

CAT: 1596-AR-I03582-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I03582-01Size:10 Units

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CAS Number

68579-35-1

Molecular Formula

C11H10N. Cl

Molecular Weight

156.207 35.451

API Name

Indocyanine green

Chemical Information

N-Phenylpyridinium chloride

CAS Number	68579-35-1
PubChem CID	12210626
IUPAC Name	1-phenylpyridin-1-ium chloride
Molecular Formula	C11H10ClN
Molecular Weight	191.65
Topological Polar Surface Area	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	121

SMILES

C1=CC=C(C=C1)[N+]2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C11H10N.ClH/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1

InChIKey

OIVXRBLKXPTIMU-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 68579-35-1

CID: 12210626

Formula: C11H10ClN

MW: 191.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.65
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	191.0501770
Monoisotopic Mass	191.0501770
Topological Polar Surface Area	3.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	121
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