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909120-55-4 | Benzenesulfonamide, N-[1-(4-chlorophenyl)ethyl]-4-nitro-
CAS No: 909120-55-4 Catalog No: AG006GFW MDL No:
Product Description
Catalog Number:
AG006GFW
Chemical Name:
Benzenesulfonamide, N-[1-(4-chlorophenyl)ethyl]-4-nitro-
CAS Number:
909120-55-4
Molecular Formula:
C14H13ClN2O4S
Molecular Weight:
340.7820
IUPAC Name:
N-[1-(4-chlorophenyl)ethyl]-4-nitrobenzenesulfonamide
InChI:
InChI=1S/C14H13ClN2O4S/c1-10(11-2-4-12(15)5-3-11)16-22(20,21)14-8-6-13(7-9-14)17(18)19/h2-10,16H,1H3
InChI Key:
GRPXFWYEGNBKII-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.028g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.778g/mol
Monoisotopic Mass:
340.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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