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88345-21-5

88345-21-5 | Benzenesulfonamide, 2-chloro-3-nitro-4-(3,4,5-trimethoxyphenoxy)-

CAS No: 88345-21-5 Catalog No: AG0046FW MDL No:

Product Description

Catalog Number:
AG0046FW
Chemical Name:
Benzenesulfonamide, 2-chloro-3-nitro-4-(3,4,5-trimethoxyphenoxy)-
CAS Number:
88345-21-5
Molecular Formula:
C15H15ClN2O8S
Molecular Weight:
418.8062
IUPAC Name:
2-chloro-3-nitro-4-(3,4,5-trimethoxyphenoxy)benzenesulfonamide
InChI:
InChI=1S/C15H15ClN2O8S/c1-23-10-6-8(7-11(24-2)15(10)25-3)26-9-4-5-12(27(17,21)22)13(16)14(9)18(19)20/h4-7H,1-3H3,(H2,17,21,22)
InChI Key:
BWVQGHHUCDSJJT-UHFFFAOYSA-N
SMILES:
COc1cc(Oc2ccc(c(c2[N+](=O)[O-])Cl)S(=O)(=O)N)cc(c1OC)OC

Properties

Complexity:
596  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.024g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
418.801g/mol
Monoisotopic Mass:
418.024g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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