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Bromoacetamido-PEG4-TFP ester

CAT: 0127-BIPG2069-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG2069-01Size:100 mg
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CAS Number
2247993-78-6
Purity
≥95%
Smiles
C1=C (C (=C (C (=C1F) F) OC (=O) CCOCCOCCOCCOCCNC (=O) CBr) F) F

Chemical Information

Bromoacetamido-PEG4-TFP ester
CAS Number2247993-78-6
PubChem CID155906814
IUPAC Name(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC19H24BrF4NO7
Molecular Weight534.3
XLogP1.5
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Heavy Atom Count32
Formal Charge0
Complexity524
SMILES
C1=C(C(=C(C(=C1F)F)OC(=O)CCOCCOCCOCCOCCNC(=O)CBr)F)F
InChI
InChI=1S/C19H24BrF4NO7/c20-12-15(26)25-2-4-29-6-8-31-10-9-30-7-5-28-3-1-16(27)32-19-17(23)13(21)11-14(22)18(19)24/h11H,1-10,12H2,(H,25,26)
InChIKey
KMXNKPMXZFZZAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromoacetamido-PEG4-TFP ester
CAS: 2247993-78-6
CID: 155906814
Formula: C19H24BrF4NO7
MW: 534.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight534.3
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Exact Mass533.06723
Monoisotopic Mass533.06723
Topological Polar Surface Area92.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity524
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

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