Home Aldehydes 4-Bromo-2-furaldehyde

4-Bromo-2-furaldehyde

CAS No.:
21921-76-6
Catalog Number:
AG00385R
Molecular Formula:
C5H3BrO2
Molecular Weight:
174.9801
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$58
- +
5g
97%
In Stock USA
United States
$225
- +
10g
97%
In Stock USA
United States
$419
- +
25g
97%
In Stock USA
United States
$875
- +
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
Properties