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Home Halogens 3,4-Dichlorobenzoic acid

3,4-Dichlorobenzoic acid

CAS No.:
51-44-5
Catalog Number:
AG003IG2
Molecular Formula:
C7H4Cl2O2
Molecular Weight:
191.0115
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$19
- +
100g
97%
In Stock USA
United States
$50
- +
500g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003IG2
Chemical Name:
3,4-Dichlorobenzoic acid
CAS Number:
51-44-5
Molecular Formula:
C7H4Cl2O2
Molecular Weight:
191.0115
MDL Number:
MFCD00002492
IUPAC Name:
3,4-dichlorobenzoic acid
InChI:
InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChI Key:
VPHHJAOJUJHJKD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Cl)Cl
UNII:
YS4ZR9BXWX
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.959g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.007g/mol
Monoisotopic Mass:
189.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
ImprimatinC1, a novel plant immune-priming compound, functions as a partial agonist of salicylic acid. Scientific reports 20120101
Prediction of solubility of drugs and other compounds in organic solvents. Journal of pharmaceutical sciences 20100301
Rational redesign of the 4-chlorobenzoate binding site of 4-chlorobenzoate: coenzyme a ligase for expanded substrate range. Biochemistry 20071218
Salvinicins A and B, new neoclerodane diterpenes from Salvia divinorum. Organic letters 20050707
Properties