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54113-41-6 | Methyl 4,5-dibromo-2-furoate
CAS No: 54113-41-6 Catalog No: AG003RU5 MDL No:MFCD00092493
Product Description
Catalog Number:
AG003RU5
Chemical Name:
Methyl 4,5-dibromo-2-furoate
CAS Number:
54113-41-6
Molecular Formula:
C6H4Br2O3
Molecular Weight:
283.9022
MDL Number:
MFCD00092493
IUPAC Name:
methyl 4,5-dibromofuran-2-carboxylate
InChI:
InChI=1S/C6H4Br2O3/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,1H3
InChI Key:
OIOPUTCGINQNRL-UHFFFAOYSA-N
SMILES:
COC(=O)c1oc(c(c1)Br)Br
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.851g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.903g/mol
Monoisotopic Mass:
281.853g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Novel tricyclic pyrazole BRAF inhibitors with imidazole or furan central scaffolds. | Bioorganic & medicinal chemistry 20100915 |
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