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163774-55-8 | Benzene, [(1E)-3-[(trichloromethyl)sulfinyl]-1-propen-1-yl]-
CAS No: 163774-55-8 Catalog No: AG001UDU MDL No:
Product Description
Catalog Number:
AG001UDU
Chemical Name:
Benzene, [(1E)-3-[(trichloromethyl)sulfinyl]-1-propen-1-yl]-
CAS Number:
163774-55-8
Molecular Formula:
C10H9Cl3OS
Molecular Weight:
283.6019
IUPAC Name:
3-(trichloromethylsulfinyl)prop-1-enylbenzene
InChI:
InChI=1S/C10H9Cl3OS/c11-10(12,13)15(14)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2
InChI Key:
AYULHCIGKFXMAJ-UHFFFAOYSA-N
SMILES:
O=S(C(Cl)(Cl)Cl)C/C=C/c1ccccc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.944g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.591g/mol
Monoisotopic Mass:
281.944g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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