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141516-54-3

141516-54-3 | Benzenesulfonic acid, 4-nitro-, 2-fluoroethyl ester

CAS No: 141516-54-3 Catalog No: AG001GJ8 MDL No:

Product Description

Catalog Number:
AG001GJ8
Chemical Name:
Benzenesulfonic acid, 4-nitro-, 2-fluoroethyl ester
CAS Number:
141516-54-3
Molecular Formula:
C8H8FNO5S
Molecular Weight:
249.2162
IUPAC Name:
2-fluoroethyl 4-nitrobenzenesulfonate
InChI:
InChI=1S/C8H8FNO5S/c9-5-6-15-16(13,14)8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
InChI Key:
NZRPWDQOJQBQCA-UHFFFAOYSA-N
SMILES:
FCCOS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.011g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.212g/mol
Monoisotopic Mass:
249.011g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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