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1803588-04-6 | 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]ethane-1-sulfonyl chloride
CAS No: 1803588-04-6 Catalog No: AG01B9J9 MDL No:MFCD28505698
Product Description
Catalog Number:
AG01B9J9
Chemical Name:
2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethoxy]ethane-1-sulfonyl chloride
CAS Number:
1803588-04-6
Molecular Formula:
C12H12ClNO5S
Molecular Weight:
317.7454
MDL Number:
MFCD28505698
IUPAC Name:
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethanesulfonyl chloride
InChI:
InChI=1S/C12H12ClNO5S/c13-20(17,18)8-7-19-6-5-14-11(15)9-3-1-2-4-10(9)12(14)16/h1-4H,5-8H2
InChI Key:
GDSNVUOBVGDVHB-UHFFFAOYSA-N
SMILES:
O=C1N(CCOCCS(=O)(=O)Cl)C(=O)c2c1cccc2
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.012g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.74g/mol
Monoisotopic Mass:
317.012g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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