Home Halogens 3-(2,4-Dichlorophenyl)propanoic acid

3-(2,4-Dichlorophenyl)propanoic acid

CAS No.:
55144-92-8
Catalog Number:
AG003B9Y
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$48
- +
25g
97%
In Stock USA
United States
$175
- +
100g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003B9Y
Chemical Name:
3-(2,4-Dichlorophenyl)propanoic acid
CAS Number:
55144-92-8
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
MDL Number:
MFCD00275605
IUPAC Name:
3-(2,4-dichlorophenyl)propanoic acid
InChI:
InChI=1S/C9H8Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChI Key:
HLNPVFSCAMKIOD-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1Cl)Cl
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.99g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.061g/mol
Monoisotopic Mass:
217.99g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties