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2-chloro-4-fluorophenol; methanesulfonic acid

2-chloro-4-fluorophenol; methanesulfonic acid

CAS: 106123-84-6

Formula: C7H8ClFO4S

SMILES: CS(O)(=O)=O.OC1=C(Cl)C=C(F)C=C1

IUPAC: 2-chloro-4-fluorophenol; methanesulfonic acid

InChI: InChI=1S/C6H4ClFO.CH4O3S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3,9H;1H3,(H,2,3,4)

Composition: C (34.65%), H (3.32%), Cl (14.61%), F (7.83%), O (26.37%), S (13.21%)

Molar Mass: 242.65

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 241.9815858
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey HJIJXPIJAMGOGP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.06
Topological Polar Surface Area 20.23
Polarizability 12.6
Ring Count 1
Rotatable Bond Count 0

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