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89269-68-1 | Benzamide, 5-(2,4-dichlorophenoxy)-N-[(1-methylethyl)sulfonyl]-2-nitro-
CAS No: 89269-68-1 Catalog No: AG00419B MDL No:
Product Description
Catalog Number:
AG00419B
Chemical Name:
Benzamide, 5-(2,4-dichlorophenoxy)-N-[(1-methylethyl)sulfonyl]-2-nitro-
CAS Number:
89269-68-1
Molecular Formula:
C16H14Cl2N2O6S
Molecular Weight:
433.2632
IUPAC Name:
5-(2,4-dichlorophenoxy)-2-nitro-N-propan-2-ylsulfonylbenzamide
InChI:
InChI=1S/C16H14Cl2N2O6S/c1-9(2)27(24,25)19-16(21)12-8-11(4-5-14(12)20(22)23)26-15-6-3-10(17)7-13(15)18/h3-9H,1-2H3,(H,19,21)
InChI Key:
LSIYRHKQFJKAGH-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)Oc1ccc(c(c1)C(=O)NS(=O)(=O)C(C)C)[N+](=O)[O-]
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.995g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.256g/mol
Monoisotopic Mass:
431.995g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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