sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 3-(4-Bromobenzoyl)propionic acid

3-(4-Bromobenzoyl)propionic acid

CAS No.:
6340-79-0
Catalog Number:
AG0033GF
Molecular Formula:
C10H9BrO3
Molecular Weight:
257.0807
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$19
- +
5g
96%
In Stock USA
United States
$50
- +
25g
96%
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG0033GF
Chemical Name:
3-(4-Bromobenzoyl)propionic acid
CAS Number:
6340-79-0
Molecular Formula:
C10H9BrO3
Molecular Weight:
257.0807
MDL Number:
MFCD00016563
IUPAC Name:
4-(4-bromophenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C10H9BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key:
ZODFRCZNTXLDDW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)CCC(=O)O
EC Number:
228-732-8
NSC Number:
51068
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.974g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.083g/mol
Monoisotopic Mass:
255.974g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis of novel 1,3,4-oxadiazole derivatives and their biological properties. Acta pharmaceutica (Zagreb, Croatia) 20090601
Novel high-affinity and selective biaromatic 4-substituted gamma-hydroxybutyric acid (GHB) analogues as GHB ligands: design, synthesis, and binding studies. Journal of medicinal chemistry 20081225
Properties