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89661-04-1 | 3(2H)-Isoxazolone, 4-chloro-5-[[[(2,4-dichlorophenyl)methyl]thio]methyl]-
CAS No: 89661-04-1 Catalog No: AG0043UD MDL No:
Product Description
Catalog Number:
AG0043UD
Chemical Name:
3(2H)-Isoxazolone, 4-chloro-5-[[[(2,4-dichlorophenyl)methyl]thio]methyl]-
CAS Number:
89661-04-1
Molecular Formula:
C11H8Cl3NO2S
Molecular Weight:
324.6107
IUPAC Name:
4-chloro-5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,2-oxazol-3-one
InChI:
InChI=1S/C11H8Cl3NO2S/c12-7-2-1-6(8(13)3-7)4-18-5-9-10(14)11(16)15-17-9/h1-3H,4-5H2,(H,15,16)
InChI Key:
XRLFJKULAZHGHE-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)CSCc1o[nH]c(=O)c1Cl
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.934g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.6g/mol
Monoisotopic Mass:
322.934g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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