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Benzene, 1-chloro-4-(ethenylsulfonyl)- (9CI) 5535-51-3 98%
【Name】
4-Chlorophenyl(vinyl) sulfone
【Iupac name】
1-chloro-4-ethenylsulfonylbenzene
【CAS Registry number】
5535-51-3
【Synonyms】
4-Chlorophenyl(vinyl) sulfone
p-Chlorophenylvinyl sulfone
【Molecular Formula】
C8H7ClO2S (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C8H7ClO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h2-6H,1H2
【Canonical SMILES】
C=CS(=O)(=O)C1=CC=C(C=C1)Cl
【MOL File】
5535-51-3.mol
Chemical and Physical Properties
【Density】
1.309g/cm3
【Boiling Point】
341.4°C at 760 mmHg
【Refractive Index】
1.551
【Flash Point】
160.3°C
【Computed Properties】
Molecular Weight:202.65798 [g/mol]
Molecular Formula:C8H7ClO2S
XLogP3:1.5
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:201.985528
MonoIsotopic Mass:201.985528
Topological Polar Surface Area:42.5
Heavy Atom Count:12
Formal Charge:0
Complexity:245
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2
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