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139443-20-2 | 3-Isoxazolecarboxamide, N-[(2-chlorophenyl)sulfonyl]-5-methyl-
CAS No: 139443-20-2 Catalog No: AG001B1C MDL No:
Product Description
Catalog Number:
AG001B1C
Chemical Name:
3-Isoxazolecarboxamide, N-[(2-chlorophenyl)sulfonyl]-5-methyl-
CAS Number:
139443-20-2
Molecular Formula:
C11H9ClN2O4S
Molecular Weight:
300.7182
IUPAC Name:
N-(2-chlorophenyl)sulfonyl-5-methyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C11H9ClN2O4S/c1-7-6-9(13-18-7)11(15)14-19(16,17)10-5-3-2-4-8(10)12/h2-6H,1H3,(H,14,15)
InChI Key:
UKHVVTODYOUGDK-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)C(=O)NS(=O)(=O)c1ccccc1Cl
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.997g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.713g/mol
Monoisotopic Mass:
299.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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