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2-bromo-6-fluoro-3-(methylsulfanyl)phenol

2-bromo-6-fluoro-3-(methylsulfanyl)phenol

Formula: C7H6BrFOS

SMILES: CSC1=C(Br)C(O)=C(F)C=C1

IUPAC: 2-bromo-6-fluoro-3-(methylsulfanyl)phenol

InChI: InChI=1S/C7H6BrFOS/c1-11-5-3-2-4(9)7(10)6(5)8/h2-3,10H,1H3

Composition: C (35.46%), H (2.55%), Br (33.70%), F (8.01%), O (6.75%), S (13.52%)

Molar Mass: 237.09

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.930677
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey QNRJUBMNWZAYQG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.64
Topological Polar Surface Area 20.23
Polarizability 18.48
Ring Count 1
Rotatable Bond Count 1

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