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40432-84-6

40432-84-6 | 2-(5-Bromo-1H-indol-3-yl)acetic acid

CAS No: 40432-84-6 Catalog No: AG003MK6 MDL No:MFCD00005637

Product Description

Catalog Number:
AG003MK6
Chemical Name:
2-(5-Bromo-1H-indol-3-yl)acetic acid
CAS Number:
40432-84-6
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD00005637
IUPAC Name:
2-(5-bromo-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C10H8BrNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
InChI Key:
WTFGHMZUJMRWBK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]c2c1cc(Br)cc2
EC Number:
254-917-8
NSC Number:
88145

Properties

Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Literature

Title Journal
Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus. Journal of medicinal chemistry 20140313
In vivo characterization of horseradish peroxidase with indole-3-acetic acid and 5-bromoindole-3-acetic acid for gene therapy of cancer. Cancer gene therapy 20100601
Binding of ring-substituted indole-3-acetic acids to human serum albumin. Bioorganic & medicinal chemistry 20070701
Discovery and refinement of a new structural class of potent peptide deformylase inhibitors. Journal of medicinal chemistry 20070111
Analysis of the horseradish peroxidase/indole-3-acetic acid combination in a three-dimensional tumor model. Cancer gene therapy 20040701
Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy. Bioorganic & medicinal chemistry letters 20020916
Cytotoxic bromoindole derivatives and terpenes from the Philippine marine sponge Smenospongia sp. Zeitschrift fur Naturforschung. C, Journal of biosciences 20020101

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