Home Other Building Blocks 5-BROMO-2,4-DIMETHYLFURAN-3-CARBOXYLIC ACID

5-BROMO-2,4-DIMETHYLFURAN-3-CARBOXYLIC ACID

CAS No.:
857821-44-4
Catalog Number:
AG01DWQB
Molecular Formula:
C7H7BrO3
Molecular Weight:
219.0327
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DWQB
Chemical Name:
5-BROMO-2,4-DIMETHYLFURAN-3-CARBOXYLIC ACID
CAS Number:
857821-44-4
Molecular Formula:
C7H7BrO3
Molecular Weight:
219.0327
IUPAC Name:
5-bromo-2,4-dimethylfuran-3-carboxylic acid
InChI:
InChI=1S/C7H7BrO3/c1-3-5(7(9)10)4(2)11-6(3)8/h1-2H3,(H,9,10)
InChI Key:
BCVMFQGNASXNMW-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)oc(c1C)Br
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.958g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.034g/mol
Monoisotopic Mass:
217.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties