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58235-80-6 | Methyl 4-bromofuran-2-carboxylate
CAS No: 58235-80-6 Catalog No: AG00357G MDL No:MFCD00092559
Product Description
Catalog Number:
AG00357G
Chemical Name:
Methyl 4-bromofuran-2-carboxylate
CAS Number:
58235-80-6
Molecular Formula:
C6H5BrO3
Molecular Weight:
205.0061
MDL Number:
MFCD00092559
IUPAC Name:
methyl 4-bromofuran-2-carboxylate
InChI:
InChI=1S/C6H5BrO3/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,1H3
InChI Key:
RKEXKLRKXLRNMV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(co1)Br
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
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