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2-bromo-4-methanesulfonylphenol

2-bromo-4-methanesulfonylphenol

CAS: 20951-43-3

Formula: C7H7BrO3S

SMILES: CS(=O)(=O)C1=CC=C(O)C(Br)=C1

IUPAC: 2-bromo-4-methanesulfonylphenol

InChI: InChI=1S/C7H7BrO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,1H3

Composition: C (33.48%), H (2.81%), Br (31.82%), O (19.12%), S (12.77%)

Molar Mass: 251.09

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 249.929928
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MOQJJCKZSLMZOB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.67
Topological Polar Surface Area 54.37
Polarizability 19.92
Ring Count 1
Rotatable Bond Count 1

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