ML-178

CAT: 0127-BUP09734-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09734-01Size:2 mg

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CAS Number

1355026-47-9

Synonyms

CYM50179

Purity

=95%

Smiles

Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1

Chemical Information

2,6-Dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine

2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine is a dichlorobenzene.

CAS Number	1355026-47-9
PubChem CID	44620892
IUPAC Name	2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine
Molecular Formula	C13H9Br2Cl2NO2
Molecular Weight	441.9
XLogP	5.8
Topological Polar Surface Area	31.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	302

SMILES

C1=CC(=C(C=C1Cl)Cl)OCCOC2=C(N=C(C=C2)Br)Br

InChI

InChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2

InChIKey

KMGUBUXDNOMSRM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1355026-47-9

CID: 44620892

Formula: C13H9Br2Cl2NO2

MW: 441.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	441.9
XLogP3	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	440.83566
Monoisotopic Mass	438.83771
Topological Polar Surface Area	31.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	302
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