Phenol Impurity 2

CAT: 1596-AR-P31136-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P31136-03Size:50 Units

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CAS Number

92050-15-2

Molecular Formula

C12H6Cl4N2O2

Molecular Weight

351.99

API Name

Phenol

Chemical Information

2,6-Dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one

CAS Number	92050-15-2
PubChem CID	136241325
IUPAC Name	2,6-dichloro-4-[(3,5-dichloro-4-hydroxyphenyl)diazenyl]phenol
Molecular Formula	C12H6Cl4N2O2
Molecular Weight	352.0
XLogP	5.5
Topological Polar Surface Area	65.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	304

SMILES

C1=C(C=C(C(=C1Cl)O)Cl)N=NC2=CC(=C(C(=C2)Cl)O)Cl

InChI

InChI=1S/C12H6Cl4N2O2/c13-7-1-5(2-8(14)11(7)19)17-18-6-3-9(15)12(20)10(16)4-6/h1-4,19-20H

InChIKey

KBXQQQSDYFIVFR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 92050-15-2

CID: 136241325

Formula: C12H6Cl4N2O2

MW: 352.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.0
XLogP3	5.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	351.915388
Monoisotopic Mass	349.918338
Topological Polar Surface Area	65.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	304
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

Catalog	Name
AR-P31135-01	Phenol Impurity 1
AR-B01744-01	Bisoprolol Phenol Impurity
AR-P31137-01	Phenol Impurity 3
AR-P31138-01	Phenol Impurity 4
AR-I04258-01	Ivacaftor Nitro phenol Impurity
AR-V01283-01	Venlafaxine Impurity (4- (2- (Dimethylamino) ethyl) -Phenol)
AR-N01285-01	2- (methylamino) phenol
AR-M01700-01	2- (2-Methoxyethyl) phenol
AR-B01545-01	4- (2-Hydroxyethyl) phenol
AR-P31164-01	Phenol Related Compound 2

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