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4-bromo-2-fluoro-6-hydroxybenzoic acid

4-bromo-2-fluoro-6-hydroxybenzoic acid

CAS: 1805589-29-0

Formula: C7H4BrFO3

SMILES: OC(=O)C1=C(O)C=C(Br)C=C1F

IUPAC: 4-bromo-2-fluoro-6-hydroxybenzoic acid

InChI: InChI=1S/C7H4BrFO3/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,10H,(H,11,12)

Composition: C (35.78%), H (1.72%), Br (34.00%), F (8.08%), O (20.42%)

Molar Mass: 235.008

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.932785
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey UVBFBKRMQUEMBG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.13
Topological Polar Surface Area 57.53
Polarizability 16.23
Ring Count 1
Rotatable Bond Count 1

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