Molecular Structure of 4'-Fluorobiphenyl-4-sulfonyl chloride (CAS NO.116748-66-4):
IUPAC Name: 4-(4-Fluorophenyl)benzenesulfonyl chloride
Molecular Formula: C12H8ClFO2S
Molecular Weight: 270.71
Mol File: 116748-66-4.mol
XLogP3-AA: 3.7
H-Bond Donor: 0
H-Bond Acceptor: 3
Melting Point: 82 °C
Index of Refraction: 1.581
Molar Refractivity: 65.21 cm3
Molar Volume: 195.5 cm3
Surface Tension: 43.2 dyne/cm
Density: 1.384 g/cm3
Flash Point: 179.3 °C
Enthalpy of Vaporization: 59.57 kJ/mol
Boiling Point: 372.9 °C at 760 mmHg
Vapour Pressure: 2E-05 mmHg at 25 °C
Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)F
InChI: InChI=1S/C12H8ClFO2S/c13-17(15,16)12-7-3-10(4-8-12)9-1-5-11(14)6-2-9/h1-8H
InChIKey: CIDMHDJTWVMBIF-UHFFFAOYSA-N
4'-Fluorobiphenyl-4-sulfonyl chloride (CAS NO.116748-66-4), its Synonyms are [1,1'-Biphenyl]-4-sulfonylchloride, 4'-fluoro- ; 4-(4-Fluorophenyl)phenylsulfonylchloride ; 4'-Fluoro-1,1'-biphenyl-4-sulfonyl chloride ; 4'-Fluoro-Biphenyl-4-Sulfonyl Chloride .
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