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30885-50-8 | Benzenesulfonyl fluoride, 2-[(2-chloro-4-nitrophenoxy)methyl]-
CAS No: 30885-50-8 Catalog No: AG0031LJ MDL No:
Product Description
Catalog Number:
AG0031LJ
Chemical Name:
Benzenesulfonyl fluoride, 2-[(2-chloro-4-nitrophenoxy)methyl]-
CAS Number:
30885-50-8
Molecular Formula:
C13H9ClFNO5S
Molecular Weight:
345.7307
IUPAC Name:
2-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonyl fluoride
InChI:
InChI=1S/C13H9ClFNO5S/c14-11-7-10(16(17)18)5-6-12(11)21-8-9-3-1-2-4-13(9)22(15,19)20/h1-7H,8H2
InChI Key:
URIACEVQKFVDRP-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1OCc1ccccc1S(=O)(=O)F)[N+](=O)[O-]
NSC Number:
212401
Properties
Complexity:
492
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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