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89403-50-9 | 2(5H)-Furanone, 3-chloro-5-(3,4-dichlorophenyl)-4-[(1-methylethyl)thio]-
CAS No: 89403-50-9 Catalog No: AG003VT9 MDL No:
Product Description
Catalog Number:
AG003VT9
Chemical Name:
2(5H)-Furanone, 3-chloro-5-(3,4-dichlorophenyl)-4-[(1-methylethyl)thio]-
CAS Number:
89403-50-9
Molecular Formula:
C13H11Cl3O2S
Molecular Weight:
337.6492
IUPAC Name:
4-chloro-2-(3,4-dichlorophenyl)-3-propan-2-ylsulfanyl-2H-furan-5-one
InChI:
InChI=1S/C13H11Cl3O2S/c1-6(2)19-12-10(16)13(17)18-11(12)7-3-4-8(14)9(15)5-7/h3-6,11H,1-2H3
InChI Key:
UFWFFHUGYIFQKS-UHFFFAOYSA-N
SMILES:
CC(SC1=C(Cl)C(=O)OC1c1ccc(c(c1)Cl)Cl)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.955g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.639g/mol
Monoisotopic Mass:
335.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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