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2,5-dibromobenzoic acid

2,5-dibromobenzoic acid

CAS: 610-71-9

Formula: C7H4Br2O2

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

IUPAC: 2,5-dibromobenzoic acid

InChI: InChI=1S/C7H4Br2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

Composition: C (30.04%), H (1.44%), Br (57.09%), O (11.43%)

Molar Mass: 279.915

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 277.857805
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SQQKOTVDGCJJKI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.56
Topological Polar Surface Area 37.3
Polarizability 18.74
Ring Count 1
Rotatable Bond Count 1

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