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89660-85-5 | 3(2H)-Isoxazolone, 5-[[(3,4-dichlorophenyl)thio]methyl]-
CAS No: 89660-85-5 Catalog No: AG0043UG MDL No:
Product Description
Catalog Number:
AG0043UG
Chemical Name:
3(2H)-Isoxazolone, 5-[[(3,4-dichlorophenyl)thio]methyl]-
CAS Number:
89660-85-5
Molecular Formula:
C10H7Cl2NO2S
Molecular Weight:
276.1391
IUPAC Name:
5-[(3,4-dichlorophenyl)sulfanylmethyl]-1,2-oxazol-3-one
InChI:
InChI=1S/C10H7Cl2NO2S/c11-8-2-1-7(4-9(8)12)16-5-6-3-10(14)13-15-6/h1-4H,5H2,(H,13,14)
InChI Key:
GLAXCEJLLOFODY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)SCc1o[nH]c(=O)c1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.957g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.131g/mol
Monoisotopic Mass:
274.957g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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