2-(5-Fluoro-3-indolyl)-2-oxoacetic Acid - CAS 913320-96-4

Catalog:	BB040123
Product Name:	2-(5-Fluoro-3-indolyl)-2-oxoacetic Acid
CAS:	913320-96-4
Synonyms:	2-(5-fluoro-1H-indol-3-yl)-2-oxoacetic acid; 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(5-fluoro-1H-indol-3-yl)-2-oxoacetic acid
Description:	2-(5-Fluoro-3-indolyl)-2-oxoacetic Acid (CAS# 913320-96-4 ) is a useful research chemical.
Molecular Weight:	207.16
Molecular Formula:	C10H6FNO3
Canonical SMILES:	C1=CC2=C(C=C1F)C(=CN2)C(=O)C(=O)O
InChI:	InChI=1S/C10H6FNO3/c11-5-1-2-8-6(3-5)7(4-12-8)9(13)10(14)15/h1-4,12H,(H,14,15)
InChI Key:	BUUWYPUCENIMIQ-UHFFFAOYSA-N
LogP:	1.57430

Publication Number	Title	Priority Date
AU-2009265292-A1	Calcium ion channel modulators and uses thereof	20080703
CA-2729688-A1	Calcium ion channel modulators & uses thereof	20080703
EP-2303840-A2	Calcium ion channel modulators&uses thereof	20080703
JP-2011526618-A	Calcium ion channel modulator and use thereof	20080703
MX-2010014455-A	MODULATORS OF CALCIUM ION CHANNELS & ITS USES.	20080703

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.03317122
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	207.03317122
Rotatable Bond Count:	2
Topological Polar Surface Area:	70.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6