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Home Halogens 4-(5-bromopyridin-3-yl)-4-hydroxybut-3-en-2-one

4-(5-bromopyridin-3-yl)-4-hydroxybut-3-en-2-one

CAS No.:
728019-09-8
Catalog Number:
AG01DHEE
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$70
- +
250mg
95%
In Stock USA
United States
$126
- +
1g
95%
In Stock USA
United States
$220
- +
Product Description
Catalog Number:
AG01DHEE
Chemical Name:
4-(5-bromopyridin-3-yl)-4-hydroxybut-3-en-2-one
CAS Number:
728019-09-8
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD31692158
IUPAC Name:
1-(5-bromopyridin-3-yl)butane-1,3-dione
InChI:
InChI=1S/C9H8BrNO2/c1-6(12)2-9(13)7-3-8(10)5-11-4-7/h3-5H,2H2,1H3
InChI Key:
IYCXNWJKZPMRCW-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)c1cncc(c1)Br
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties