Benzyl-PEG3-Tos

CAT: 0127-BIPG1196-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG1196-01Size:250 mg

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

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CAS Number

98627-22-6

MDL Number

MFCD28064331

Purity

95%

Smiles

Cc1ccc(cc1)S(=O)(=O)OCCOCCOCc2ccccc2

Chemical Information

2-(2-(Benzyloxy)ethoxy)ethyl 4-methylbenzenesulfonate

CAS Number	98627-22-6
PubChem CID	14004864
IUPAC Name	2-(2-phenylmethoxyethoxy)ethyl 4-methylbenzenesulfonate
Molecular Formula	C18H22O5S
Molecular Weight	350.4
XLogP	2.8
Topological Polar Surface Area	70.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	24
Formal Charge	0
Complexity	417

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCC2=CC=CC=C2

InChI

InChI=1S/C18H22O5S/c1-16-7-9-18(10-8-16)24(19,20)23-14-13-21-11-12-22-15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3

InChIKey

NFEMXFVBUWGQRW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 98627-22-6

CID: 14004864

Formula: C18H22O5S

MW: 350.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.4
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	350.11879497
Monoisotopic Mass	350.11879497
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	417
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