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30855-26-6

30855-26-6 | Benzenesulfonyl fluoride, 4-[(2-chloro-4-nitrophenoxy)methyl]-

CAS No: 30855-26-6 Catalog No: AG0031HU MDL No:

Product Description

Catalog Number:
AG0031HU
Chemical Name:
Benzenesulfonyl fluoride, 4-[(2-chloro-4-nitrophenoxy)methyl]-
CAS Number:
30855-26-6
Molecular Formula:
C13H9ClFNO5S
Molecular Weight:
345.7307
IUPAC Name:
4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonyl fluoride
InChI:
InChI=1S/C13H9ClFNO5S/c14-12-7-10(16(17)18)3-6-13(12)21-8-9-1-4-11(5-2-9)22(15,19)20/h1-7H,8H2
InChI Key:
VLBDASJAUBBBEQ-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1OCc1ccc(cc1)S(=O)(=O)F)[N+](=O)[O-]
NSC Number:
212206

Properties

Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.987g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.725g/mol
Monoisotopic Mass:
344.987g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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