Br-PEG9-CH2CH2Br

CAT: 0127-OR1039414-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1039414-02Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

140714-66-5

Purity

97%

Smiles

BrCCOCCOCCOCCOCCOCCOCCOCCOCCOCCBr

Chemical Information

Br-PEG9-CH2CH2Br

CAS Number	140714-66-5
PubChem CID	129316394
IUPAC Name	1-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]-2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane
Molecular Formula	C20H40Br2O9
Molecular Weight	584.3
XLogP	0.4
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	28
Heavy Atom Count	31
Formal Charge	0
Complexity	290

SMILES

C(COCCOCCOCCOCCBr)OCCOCCOCCOCCOCCBr

InChI

InChI=1S/C20H40Br2O9/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h1-20H2

InChIKey

BNYBCSNGUHWYIZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 140714-66-5

CID: 129316394

Formula: C20H40Br2O9

MW: 584.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	584.3
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	28
Exact Mass	584.10186
Monoisotopic Mass	582.10391
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	290
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