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73987-11-8 | 2,2-DIMETHYL-4-((PENTACHLOROPHENYLTHIO)METHYL)-1,3-DIOXOLANE
CAS No: 73987-11-8 Catalog No: AG005AFV MDL No:
Product Description
Catalog Number:
AG005AFV
Chemical Name:
2,2-DIMETHYL-4-((PENTACHLOROPHENYLTHIO)METHYL)-1,3-DIOXOLANE
CAS Number:
73987-11-8
Molecular Formula:
C12H15Cl5O2S
Molecular Weight:
400.5763
IUPAC Name:
2,2-dimethyl-4-[(2,3,4,5,6-pentachlorophenyl)sulfanylmethyl]-1,3-dioxolane
InChI:
InChI=1S/C12H11Cl5O2S/c1-12(2)18-3-5(19-12)4-20-11-9(16)7(14)6(13)8(15)10(11)17/h5H,3-4H2,1-2H3
InChI Key:
DVLUIQKNFOKCIV-UHFFFAOYSA-N
SMILES:
Clc1ccccc1S(CC1COC(O1)(C)C)(Cl)(Cl)(Cl)Cl
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.889g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.528g/mol
Monoisotopic Mass:
393.892g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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