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21921-76-6 | 4-Bromo-2-furaldehyde
CAS No: 21921-76-6 Catalog No: AG00385R MDL No:MFCD00671504
Product Description
Catalog Number:
AG00385R
Chemical Name:
4-Bromo-2-furaldehyde
CAS Number:
21921-76-6
Molecular Formula:
C5H3BrO2
Molecular Weight:
174.9801
MDL Number:
MFCD00671504
IUPAC Name:
4-bromofuran-2-carbaldehyde
InChI:
InChI=1S/C5H3BrO2/c6-4-1-5(2-7)8-3-4/h1-3H
InChI Key:
MRGBBKQOSUHKPF-UHFFFAOYSA-N
SMILES:
Brc1cc(oc1)C=O
Properties
Complexity:
94.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.932g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.981g/mol
Monoisotopic Mass:
173.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| 4-(3'alpha15'beta-dihydroxy-5'beta-estran-17'beta-yl)furan-2-methyl alcohol: an anti-digoxin agent with a novel mechanism of action. | Journal of medicinal chemistry 20060126 |
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