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114341-14-9 | Benzenesulfonyl chloride, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-
CAS No: 114341-14-9 Catalog No: AG000B43 MDL No:
Product Description
Catalog Number:
AG000B43
Chemical Name:
Benzenesulfonyl chloride, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-
CAS Number:
114341-14-9
Molecular Formula:
C14H10ClNO3S
Molecular Weight:
307.7521
IUPAC Name:
4-(3-oxo-1H-isoindol-2-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C14H10ClNO3S/c15-20(18,19)12-7-5-11(6-8-12)16-9-10-3-1-2-4-13(10)14(16)17/h1-8H,9H2
InChI Key:
PKWBLDDSBFCSPX-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2c1cccc2)c1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.007g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.748g/mol
Monoisotopic Mass:
307.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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