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Bromoacetamido-PEG4-acid

CAT: 0926-HXC51867-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-HXC51867-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1807518-67-7
MDL Number
MFCD28950779
Smiles
C (COCCOCCOCCOCCNC (=O) CBr) C (=O) O
Molecular Formula
C13H24BrNO7
Molecular Weight
386.24 g/mol
Controlled
No

Chemical Information

Bromoacetamido-PEG4-Acid
CAS Number1807518-67-7
PubChem CID87177921
IUPAC Name3-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC13H24BrNO7
Molecular Weight386.24
XLogP-0.8
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count22
Formal Charge0
Complexity292
SMILES
C(COCCOCCOCCOCCNC(=O)CBr)C(=O)O
InChI
InChI=1S/C13H24BrNO7/c14-11-12(16)15-2-4-20-6-8-22-10-9-21-7-5-19-3-1-13(17)18/h1-11H2,(H,15,16)(H,17,18)
InChIKey
LMFYGPXSVUULRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromoacetamido-PEG4-Acid
CAS: 1807518-67-7
CID: 87177921
Formula: C13H24BrNO7
MW: 386.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight386.24
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass385.07361
Monoisotopic Mass385.07361
Topological Polar Surface Area103 Ų
Heavy Atom Count22
Formal Charge0
Complexity292
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