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138046-36-3

138046-36-3 | 1H-Pyrrole-2,5-dione, 3-phenyl-1-[(phenylsulfonyl)oxy]-

CAS No: 138046-36-3 Catalog No: AG0017WK MDL No:

Product Description

Catalog Number:
AG0017WK
Chemical Name:
1H-Pyrrole-2,5-dione, 3-phenyl-1-[(phenylsulfonyl)oxy]-
CAS Number:
138046-36-3
Molecular Formula:
C16H11NO5S
Molecular Weight:
329.3272
IUPAC Name:
(2,5-dioxo-3-phenylpyrrol-1-yl) benzenesulfonate
InChI:
InChI=1S/C16H11NO5S/c18-15-11-14(12-7-3-1-4-8-12)16(19)17(15)22-23(20,21)13-9-5-2-6-10-13/h1-11H
InChI Key:
CAXWOOPMDMTBML-UHFFFAOYSA-N
SMILES:
O=C1C=C(C(=O)N1OS(=O)(=O)c1ccccc1)c1ccccc1

Properties

Complexity:
607  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.036g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.326g/mol
Monoisotopic Mass:
329.036g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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