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585-70-6 | 5-Bromofuran-2-carboxylic acid
CAS No: 585-70-6 Catalog No: AG003MK2 MDL No:MFCD00003239
Product Description
Catalog Number:
AG003MK2
Chemical Name:
5-Bromofuran-2-carboxylic acid
CAS Number:
585-70-6
Molecular Formula:
C5H3BrO3
Molecular Weight:
190.9795
MDL Number:
MFCD00003239
IUPAC Name:
5-bromofuran-2-carboxylic acid
InChI:
InChI=1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChI Key:
YVTQHZDUDUCGRD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)Br
EC Number:
209-559-7
NSC Number:
32221
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.927g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.98g/mol
Monoisotopic Mass:
189.927g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Ionic immobilization, diversification, and release: application to the generation of a library of methionine aminopeptidase inhibitors. | Journal of combinatorial chemistry 20080101 |
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