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Home Halogens 3-(3,5-Dichlorophenyl)benzoic acid

3-(3,5-Dichlorophenyl)benzoic acid

CAS No.:
380228-57-9
Catalog Number:
AG00BY56
Molecular Formula:
C13H8Cl2O2
Molecular Weight:
267.1074
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$138
- +
5g
95%
In Stock USA
United States
$563
- +
25g
95%
In Stock USA
United States
$2250
- +
Product Description
Catalog Number:
AG00BY56
Chemical Name:
3-(3,5-Dichlorophenyl)benzoic acid
CAS Number:
380228-57-9
Molecular Formula:
C13H8Cl2O2
Molecular Weight:
267.1074
MDL Number:
MFCD03426495
IUPAC Name:
3-(3,5-dichlorophenyl)benzoic acid
InChI:
InChI=1S/C13H8Cl2O2/c14-11-5-10(6-12(15)7-11)8-2-1-3-9(4-8)13(16)17/h1-7H,(H,16,17)
InChI Key:
DJCRAGQDESWSPY-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.99g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.105g/mol
Monoisotopic Mass:
265.99g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approach. Journal of medicinal chemistry 20050407
Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis. Journal of medicinal chemistry 20040115
Properties