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277758-54-0 | Benzenesulfonyl chloride, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-2-ethoxy-
CAS No: 277758-54-0 Catalog No: AG002UPS MDL No:
Product Description
Catalog Number:
AG002UPS
Chemical Name:
Benzenesulfonyl chloride, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-2-ethoxy-
CAS Number:
277758-54-0
Molecular Formula:
C16H14ClNO4S
Molecular Weight:
351.8047
IUPAC Name:
2-ethoxy-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C16H14ClNO4S/c1-2-22-14-9-12(7-8-15(14)23(17,20)21)18-10-11-5-3-4-6-13(11)16(18)19/h3-9H,2,10H2,1H3
InChI Key:
SBKVCHSSIXHNQT-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1S(=O)(=O)Cl)N1Cc2c(C1=O)cccc2
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.033g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.801g/mol
Monoisotopic Mass:
351.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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