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147436-76-8 | 1H-Indole-3-acetic acid, 2-carboxy-4,6-dichloro-
CAS No: 147436-76-8 Catalog No: AG001EWB MDL No:
Product Description
Catalog Number:
AG001EWB
Chemical Name:
1H-Indole-3-acetic acid, 2-carboxy-4,6-dichloro-
CAS Number:
147436-76-8
Molecular Formula:
C11H7Cl2NO4
Molecular Weight:
288.0836
IUPAC Name:
3-(carboxymethyl)-4,6-dichloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C11H7Cl2NO4/c12-4-1-6(13)9-5(3-8(15)16)10(11(17)18)14-7(9)2-4/h1-2,14H,3H2,(H,15,16)(H,17,18)
InChI Key:
GXJZWNPIQFHATE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c([nH]c2c1c(Cl)cc(c2)Cl)C(=O)O
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.975g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.08g/mol
Monoisotopic Mass:
286.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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 |
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