Home Halogens 3-Furancarboxylic acid, 5-bromo-2-methyl-

3-Furancarboxylic acid, 5-bromo-2-methyl-

CAS No.:
850553-54-7
Catalog Number:
AG004SIJ
Molecular Formula:
C6H5BrO3
Molecular Weight:
205.0061
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Product Description
Catalog Number:
AG004SIJ
Chemical Name:
3-Furancarboxylic acid, 5-bromo-2-methyl-
CAS Number:
850553-54-7
Molecular Formula:
C6H5BrO3
Molecular Weight:
205.0061
MDL Number:
MFCD09028433
IUPAC Name:
5-bromo-2-methylfuran-3-carboxylic acid
InChI:
InChI=1S/C6H5BrO3/c1-3-4(6(8)9)2-5(7)10-3/h2H,1H3,(H,8,9)
InChI Key:
YQROOKGRFHAYEN-UHFFFAOYSA-N
SMILES:
Brc1oc(c(c1)C(=O)O)C
Properties
Complexity:
148  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
205.007g/mol
Monoisotopic Mass:
203.942g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties