Phenacetin Impurity 2

CAT: 1596-AR-P31063-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-P31063-05Size:150

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CAS Number

614-26-6

Molecular Formula

C12H8Cl2N2O

Molecular Weight

267.11

API Name

Phenacetin

Chemical Information

4,4'-Dichloroazoxybenzene

CAS Number	614-26-6
PubChem CID	11960
IUPAC Name	(4-chlorophenyl)-(4-chlorophenyl)imino-oxidoazanium
Molecular Formula	C12H8Cl2N2O
Molecular Weight	267.11
XLogP	4.4
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	270

SMILES

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

InChI

InChI=1S/C12H8Cl2N2O/c13-9-1-5-11(6-2-9)15-16(17)12-7-3-10(14)4-8-12/h1-8H

InChIKey

NMAZIJPSESMWSA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 614-26-6

CID: 11960

Formula: C12H8Cl2N2O

MW: 267.11

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	267.11
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	266.0013683
Monoisotopic Mass	266.0013683
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	270
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