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277758-53-9 | Benzenesulfonyl chloride, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-2-methoxy-
CAS No: 277758-53-9 Catalog No: AG002UPT MDL No:
Product Description
Catalog Number:
AG002UPT
Chemical Name:
Benzenesulfonyl chloride, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-2-methoxy-
CAS Number:
277758-53-9
Molecular Formula:
C15H12ClNO4S
Molecular Weight:
337.7781
IUPAC Name:
2-methoxy-4-(3-oxo-1H-isoindol-2-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C15H12ClNO4S/c1-21-13-8-11(6-7-14(13)22(16,19)20)17-9-10-4-2-3-5-12(10)15(17)18/h2-8H,9H2,1H3
InChI Key:
WUFCCKPYYJPQHZ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1S(=O)(=O)Cl)N1Cc2c(C1=O)cccc2
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.018g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.774g/mol
Monoisotopic Mass:
337.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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