CCC1=CC=C(C=C1)S(=O)(=O)Cl
CAS: 16712-69-9
Name: 4-ethylbenzenesulfonyl chloride
SMILES: CCC1=CC=C(C=C1)S(=O)(=O)Cl

Molecular Processing

Molecular formula
C8H9ClO2S
Molecular weight
204.68
Exact mass
204.0012
XLogP
2.18
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
48.86

Supplementary Information

InChIKey: LACFLXDRFOQEFZ-UHFFFAOYSA-N
Synonyme
4-ethylbenzene-1-sulfonyl chlorideRefChem:522847679-050-616712-69-94-Ethylbenzenesulfonyl chloride4-Ethylbenzenesulphonyl chlorideBenzenesulfonyl chloride, 4-ethyl-4-Ethyl-benzenesulfonyl chlorideMFCD00041480P-ETHYLBENZENESULFONYL CHLORIDEchloro(4-ethylphenyl)sulfone4-ethylphenylsulfonyl chlorideSCHEMBL344067SCHEMBL47767644-ethyl benzenesulfonyl chloride4-ethylben-zenesulfonyl chloride4-ethylbenzene-1-sulfonylchlorideDTXSID10341198ALBB-000976BBL013799CK2494SBB058889STK500494AKOS000200511AS-45914E0065ST50411828EN300-21617F043716F0808-2052
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