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Home Halogens 4,6-Dichloro-1h-indole-2-carboxylic acid

4,6-Dichloro-1h-indole-2-carboxylic acid

CAS No.:
101861-63-6
Catalog Number:
AG0005SL
Molecular Formula:
C9H5Cl2NO2
Molecular Weight:
230.0475
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$32
- +
250mg
95%
In Stock USA
United States
$57
- +
1g
96%
In Stock USA
United States
$88
- +
5g
96%
In Stock USA
United States
$338
- +
10g
96%
In Stock USA
United States
$588
- +
25g
96%
In Stock USA
United States
$1150
- +
Product Description
Catalog Number:
AG0005SL
Chemical Name:
4,6-Dichloro-1h-indole-2-carboxylic acid
CAS Number:
101861-63-6
Molecular Formula:
C9H5Cl2NO2
Molecular Weight:
230.0475
MDL Number:
MFCD00209870
IUPAC Name:
4,6-dichloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H5Cl2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)
InChI Key:
DHXISZKSSIWRLH-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)[nH]c(c2)C(=O)O
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.97g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.044g/mol
Monoisotopic Mass:
228.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid: an allosteric inhibitor of fructose-1,6-bisphosphatase at the AMP site. Bioorganic & medicinal chemistry letters 20030616
Hydantoin-substituted 4,6-dichloroindole-2-carboxylic acids as ligands with high affinity for the glycine binding site of the NMDA receptor. Journal of medicinal chemistry 20030102
Properties