CAS 1912-41-0 | 1H-Indole-3-acetic acid, 7-chloro- | CAS Number 1912-41-0

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1912-41-0 | 1H-Indole-3-acetic acid, 7-chloro-

CAS No: 1912-41-0 Catalog No: AG002F4A MDL No:MFCD09751728

Product Description

Catalog Number:

AG002F4A

Chemical Name:

1H-Indole-3-acetic acid, 7-chloro-

CAS Number:

1912-41-0

Molecular Formula:

C10H8ClNO2

Molecular Weight:

209.6290

MDL Number:

MFCD09751728

IUPAC Name:

2-(7-chloro-1H-indol-3-yl)acetic acid

InChI:

InChI=1S/C10H8ClNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5,12H,4H2,(H,13,14)

InChI Key:

IFOAZUXPPBRTBS-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1c[nH]c2c1cccc2Cl

Properties

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.024g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

209.629g/mol

Monoisotopic Mass:

209.024g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Binding of ring-substituted indole-3-acetic acids to human serum albumin.	Bioorganic & medicinal chemistry 20070701
Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy.	Bioorganic & medicinal chemistry letters 20020916