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823781-50-6 | Benzenesulfonamide, N-(3-bromophenyl)-4-(2-chloro-6-nitrophenoxy)-
CAS No: 823781-50-6 Catalog No: AG0053H5 MDL No:
Product Description
Catalog Number:
AG0053H5
Chemical Name:
Benzenesulfonamide, N-(3-bromophenyl)-4-(2-chloro-6-nitrophenoxy)-
CAS Number:
823781-50-6
Molecular Formula:
C18H12BrClN2O5S
Molecular Weight:
483.7203
IUPAC Name:
N-(3-bromophenyl)-4-(2-chloro-6-nitrophenoxy)benzenesulfonamide
InChI:
InChI=1S/C18H12BrClN2O5S/c19-12-3-1-4-13(11-12)21-28(25,26)15-9-7-14(8-10-15)27-18-16(20)5-2-6-17(18)22(23)24/h1-11,21H
InChI Key:
AWPDHTDLWSOUEB-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)NS(=O)(=O)c1ccc(cc1)Oc1c(Cl)cccc1[N+](=O)[O-]
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.934g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
483.717g/mol
Monoisotopic Mass:
481.934g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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