CAS 101495-59-4 | 1H-Indole, 2,3-dichloro- | CAS Number 101495-59-4

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101495-59-4 | 1H-Indole, 2,3-dichloro-

CAS No: 101495-59-4 Catalog No: AG0004LZ MDL No:MFCD18449890

Product Description

Catalog Number:

AG0004LZ

Chemical Name:

1H-Indole, 2,3-dichloro-

CAS Number:

101495-59-4

Molecular Formula:

C8H5Cl2N

Molecular Weight:

186.0380

MDL Number:

MFCD18449890

IUPAC Name:

2,3-dichloro-1H-indole

InChI:

InChI=1S/C8H5Cl2N/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4,11H

InChI Key:

QOQGUYAEXRBZQN-UHFFFAOYSA-N

SMILES:

Clc1[nH]c2c(c1Cl)cccc2

Properties

Complexity:

151

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

184.98g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.035g/mol

Monoisotopic Mass:

184.98g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

15.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
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
Synthesis, absolute configuration and biological activity of both enantiomers of 2-(5,6-dichloro-3-indolyl)propionic acid: new dichloroindole auxins.	Bioscience, biotechnology, and biochemistry 20010201