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61404-92-0 | 4-(4-Nitrophenoxy)benzenesulfonyl chloride
CAS No: 61404-92-0 Catalog No: AG01EWNK MDL No:
Product Description
Catalog Number:
AG01EWNK
Chemical Name:
4-(4-Nitrophenoxy)benzenesulfonyl chloride
CAS Number:
61404-92-0
Molecular Formula:
C12H8ClNO5S
Molecular Weight:
313.7136
IUPAC Name:
4-(4-nitrophenoxy)benzenesulfonyl chloride
InChI:
InChI=1S/C12H8ClNO5S/c13-20(17,18)12-7-5-11(6-8-12)19-10-3-1-9(2-4-10)14(15)16/h1-8H
InChI Key:
OGPAJCKMXVJHSK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.981g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.708g/mol
Monoisotopic Mass:
312.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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