C1=C(OC(=C1)Br)C(=O)O
CAS: 585-70-6
Nombre: 5-bromofuran-2-carboxylic acid
SMILES: C1=C(OC(=C1)Br)C(=O)O

Molecular Processing

Molecular formula
C5H3BrO3
Molecular weight
190.98
Exact mass
189.9266
XLogP
1.74
TPSA
50.44
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
33.37

Supplementary Information

InChIKey: YVTQHZDUDUCGRD-UHFFFAOYSA-N
Sinónimos
585-70-65-Bromo-2-furancarboxylic acid2-Furancarboxylic acid, 5-bromo-5-Bromo-2-furanecarboxylic acidEINECS 209-559-7AI3-23597DTXSID40207218NSC 322215Bromofuroic acid5Bromo2furoic acidRefChem:5332302Furancarboxylic acid, 5bromoDTXCID40129709209-559-7InChI=1/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,85-bromofuran-2-carboxylic acid5-Bromo-2-furoic acid5-Bromofuroic acid5-Bromo-furan-2-carboxylic acidMFCD000032392-Furoic acid, 5-bromo-5-Bromofuroic acid;5-Bromofuroic acid;5-Bromofuroic acid5-Bromo furan-2-carboxylic acid5-bromofuranoic acid5-bromo-furoic acid5-Bromopyromucic Acid2-bromo-5-carboxyfuranMaybridge3_0000015-Bromofuran-2-carboxylicacidSCHEMBL216529
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