Home Halogens 5-bromo-3-methylfuran-2-carboxylic acid

5-bromo-3-methylfuran-2-carboxylic acid

CAS No.:
5896-35-5
Catalog Number:
AG00ECRB
Molecular Formula:
C6H5BrO3
Molecular Weight:
205.0061
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Product Description
Catalog Number:
AG00ECRB
Chemical Name:
5-bromo-3-methylfuran-2-carboxylic acid
CAS Number:
5896-35-5
Molecular Formula:
C6H5BrO3
Molecular Weight:
205.0061
MDL Number:
MFCD06227464
IUPAC Name:
5-bromo-3-methylfuran-2-carboxylic acid
InChI:
InChI=1S/C6H5BrO3/c1-3-2-4(7)10-5(3)6(8)9/h2H,1H3,(H,8,9)
InChI Key:
WXEJPQJVASKGHW-UHFFFAOYSA-N
SMILES:
Brc1cc(c(o1)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:
2.2  
Properties