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Bromo-PEG4-CH2CO2tBu

CAT: 0127-BIPG1340-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG1340-01Size:250 mg
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CAS Number
1807505-29-8
MDL Number
MFCD27977496
Purity
95%
Smiles
CC(C)(C)OC(=O)COCCOCCOCCOCCBr

Chemical Information

Bromo-PEG4-CH2CO2tBu
CAS Number1807505-29-8
PubChem CID77078232
IUPAC Nametert-butyl 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]acetate
Molecular FormulaC14H27BrO6
Molecular Weight371.26
XLogP1.3
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count21
Formal Charge0
Complexity254
SMILES
CC(C)(C)OC(=O)COCCOCCOCCOCCBr
InChI
InChI=1S/C14H27BrO6/c1-14(2,3)21-13(16)12-20-11-10-19-9-8-18-7-6-17-5-4-15/h4-12H2,1-3H3
InChIKey
PELYBQFWTCXTNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromo-PEG4-CH2CO2tBu
CAS: 1807505-29-8
CID: 77078232
Formula: C14H27BrO6
MW: 371.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight371.26
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass370.09910
Monoisotopic Mass370.09910
Topological Polar Surface Area63.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity254
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes