Home Halogens 2,5-furandione,3-(bromomethyl)-4-methyl

2,5-furandione,3-(bromomethyl)-4-methyl

CAS No.:
98453-81-7
Catalog Number:
AG003G19
Molecular Formula:
C6H5BrO3
Molecular Weight:
205.0061
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Product Description
Catalog Number:
AG003G19
Chemical Name:
2,5-furandione,3-(bromomethyl)-4-methyl
CAS Number:
98453-81-7
Molecular Formula:
C6H5BrO3
Molecular Weight:
205.0061
MDL Number:
MFCD24458841
IUPAC Name:
3-(bromomethyl)-4-methylfuran-2,5-dione
InChI:
InChI=1S/C6H5BrO3/c1-3-4(2-7)6(9)10-5(3)8/h2H2,1H3
InChI Key:
AVTAKKPVKDWUEY-UHFFFAOYSA-N
SMILES:
BrCC1=C(C)C(=O)OC1=O
Properties
Complexity:
229  
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:
1  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties