CAS 1912-40-9 | 1H-Indole-3-acetic acid, 5,7-dichloro- | CAS Number 1912-40-9

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1912-40-9 | 1H-Indole-3-acetic acid, 5,7-dichloro-

CAS No: 1912-40-9 Catalog No: AG002F4B MDL No:

Product Description

Catalog Number:

AG002F4B

Chemical Name:

1H-Indole-3-acetic acid, 5,7-dichloro-

CAS Number:

1912-40-9

Molecular Formula:

C10H7Cl2NO2

Molecular Weight:

244.0741

IUPAC Name:

2-(5,7-dichloro-1H-indol-3-yl)acetic acid

InChI:

InChI=1S/C10H7Cl2NO2/c11-6-2-7-5(1-9(14)15)4-13-10(7)8(12)3-6/h2-4,13H,1H2,(H,14,15)

InChI Key:

NVVJEABWJDEWOA-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1c[nH]c2c1cc(Cl)cc2Cl

Properties

Complexity:

262

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.985g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.071g/mol

Monoisotopic Mass:

242.985g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Binding of ring-substituted indole-3-acetic acids to human serum albumin.	Bioorganic & medicinal chemistry 20070701
Synthesis, absolute configuration and biological activities of both enantiomers of 2-(5,7-Dichloro-3-indolyl)propionic acid: a novel dichloroindole auxin and antiauxin.	Bioscience, biotechnology, and biochemistry 20040601