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100991-59-1 | 4-Morpholinecarbothioic acid, O-(2,3,4,5,6-pentachlorophenyl) ester
CAS No: 100991-59-1 Catalog No: AG0003E0 MDL No:
Product Description
Catalog Number:
AG0003E0
Chemical Name:
4-Morpholinecarbothioic acid, O-(2,3,4,5,6-pentachlorophenyl) ester
CAS Number:
100991-59-1
Molecular Formula:
C11H8Cl5NO2S
Molecular Weight:
395.5167
IUPAC Name:
O-(2,3,4,5,6-pentachlorophenyl) morpholine-4-carbothioate
InChI:
InChI=1S/C11H8Cl5NO2S/c12-5-6(13)8(15)10(9(16)7(5)14)19-11(20)17-1-3-18-4-2-17/h1-4H2
InChI Key:
SHOIUDUSEUIQJL-UHFFFAOYSA-N
SMILES:
S=C(N1CCOCC1)Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.869g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.5g/mol
Monoisotopic Mass:
392.872g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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