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1150-28-3

1150-28-3 | Benzenesulfonothioic acid, S-(4-nitrophenyl) ester

CAS No: 1150-28-3 Catalog No: AG000FLE MDL No:

Product Description

Catalog Number:
AG000FLE
Chemical Name:
Benzenesulfonothioic acid, S-(4-nitrophenyl) ester
CAS Number:
1150-28-3
Molecular Formula:
C12H9NO4S2
Molecular Weight:
295.3342
IUPAC Name:
1-(benzenesulfonylsulfanyl)-4-nitrobenzene
InChI:
InChI=1S/C12H9NO4S2/c14-13(15)10-6-8-11(9-7-10)18-19(16,17)12-4-2-1-3-5-12/h1-9H
InChI Key:
GZWPAPUCERFLNP-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Sc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.997g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.327g/mol
Monoisotopic Mass:
294.997g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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