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5-bromofuran-3-carboxylic acid

5-bromofuran-3-carboxylic acid

CAS: 58832-36-3

Formula: C5H3BrO3

SMILES: OC(=O)C1=COC(Br)=C1

IUPAC: 5-bromofuran-3-carboxylic acid

InChI: InChI=1S/C5H3BrO3/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)

Composition: C (31.45%), H (1.58%), Br (41.84%), O (25.13%)

Molar Mass: 190.98

Atom Count: 12

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 189.926557
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XYBPFWUNJQTZCM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.23
Topological Polar Surface Area 50.44
Polarizability 12.84
Ring Count 1
Rotatable Bond Count 1

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