Home Halogens 3-Furancarboxylic acid, 2-bromo-, methyl ester

3-Furancarboxylic acid, 2-bromo-, methyl ester

CAS No.:
197846-06-3
Catalog Number:
AG002B43
Molecular Formula:
C6H5BrO3
Molecular Weight:
205.0061
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Product Description
Catalog Number:
AG002B43
Chemical Name:
3-Furancarboxylic acid, 2-bromo-, methyl ester
CAS Number:
197846-06-3
Molecular Formula:
C6H5BrO3
Molecular Weight:
205.0061
MDL Number:
MFCD09879944
IUPAC Name:
methyl 2-bromofuran-3-carboxylate
InChI:
InChI=1S/C6H5BrO3/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,1H3
InChI Key:
XXUUZVIMSVBWIQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccoc1Br
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.942g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.007g/mol
Monoisotopic Mass:
203.942g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties