Azido-PEG4-PFP ester

CAT: 0127-BIPG1164Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG1164Size:100 mg

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CAS Number

1353012-00-6

MDL Number

MFCD20926373

Smiles

Fc1c(F)c(F)c(OC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])c(F)c1F

Chemical Information

Azido-PEG4-PFP ester

CAS Number	1353012-00-6
PubChem CID	60146185
IUPAC Name	(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C17H20F5N3O6
Molecular Weight	457.3
XLogP	2.4
Topological Polar Surface Area	77.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	17
Heavy Atom Count	31
Formal Charge	0
Complexity	544

SMILES

C(COCCOCCOCCOCCN=[N+]=[N-])C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F

InChI

InChI=1S/C17H20F5N3O6/c18-12-13(19)15(21)17(16(22)14(12)20)31-11(26)1-3-27-5-7-29-9-10-30-8-6-28-4-2-24-25-23/h1-10H2

InChIKey

QSIFGTAWLLFXPY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1353012-00-6

CID: 60146185

Formula: C17H20F5N3O6

MW: 457.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	457.3
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	17
Exact Mass	457.12722618
Monoisotopic Mass	457.12722618
Topological Polar Surface Area	77.6 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	544
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