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Home Nitros 2-Chloro-3,5-dinitrobenzoic acid

2-Chloro-3,5-dinitrobenzoic acid

CAS No.:
2497-91-8
Catalog Number:
AG002Q19
Molecular Formula:
C7H3ClN2O6
Molecular Weight:
246.5615
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$25
- +
100g
97%
In Stock USA
United States
$62
- +
500g
97%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG002Q19
Chemical Name:
2-Chloro-3,5-dinitrobenzoic acid
CAS Number:
2497-91-8
Molecular Formula:
C7H3ClN2O6
Molecular Weight:
246.5615
MDL Number:
MFCD00007070
IUPAC Name:
2-chloro-3,5-dinitrobenzoic acid
InChI:
InChI=1S/C7H3ClN2O6/c8-6-4(7(11)12)1-3(9(13)14)2-5(6)10(15)16/h1-2H,(H,11,12)
InChI Key:
ADTKEYLCJYYHHH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])Cl
EC Number:
219-684-9
NSC Number:
4538
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.968g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.559g/mol
Monoisotopic Mass:
245.968g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Preparation of a new chiral stationary phase for HPLC based on the (R)- 1-phenyl-2-(4-methylphenyl)ethylamine amide derivative of (S)-valine and 2-chloro-3,5-dinitrobenzoic acid: enantioseparation of amino acid derivatives and pyrethroid insecticides. Journal of separation science 20070801
Properties