CAS 1912-44-3 | 1H-Indole-3-acetic acid, 6-chloro- | CAS Number 1912-44-3

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1912-44-3 | 1H-Indole-3-acetic acid, 6-chloro-

CAS No: 1912-44-3 Catalog No: AG002F47 MDL No:MFCD09751729

Product Description

Catalog Number:

AG002F47

Chemical Name:

1H-Indole-3-acetic acid, 6-chloro-

CAS Number:

1912-44-3

Molecular Formula:

C10H8ClNO2

Molecular Weight:

209.6290

MDL Number:

MFCD09751729

IUPAC Name:

2-(6-chloro-1H-indol-3-yl)acetic acid

InChI:

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

InChI Key:

KKJVTNQWFSAWSK-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1c[nH]c2c1ccc(c2)Cl

NSC Number:

295295

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:

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