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89588-95-4 | Benzenesulfonic acid, 4-methoxy-, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS No: 89588-95-4 Catalog No: AG007J7P MDL No:
Product Description
Catalog Number:
AG007J7P
Chemical Name:
Benzenesulfonic acid, 4-methoxy-, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS Number:
89588-95-4
Molecular Formula:
C12H13IO5S
Molecular Weight:
396.1981
IUPAC Name:
2-(3-iodoprop-2-ynoxy)ethyl 4-methoxybenzenesulfonate
InChI:
InChI=1S/C12H13IO5S/c1-16-11-3-5-12(6-4-11)19(14,15)18-10-9-17-8-2-7-13/h3-6H,8-10H2,1H3
InChI Key:
DGSPKYRZZGLVDU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)OCCOCC#CI
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.953g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.195g/mol
Monoisotopic Mass:
395.953g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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