Ethyl 5-fluoroindole-2-carboxylate - CAS 348-36-7

Catalog:	BB022314
Product Name:	Ethyl 5-fluoroindole-2-carboxylate
CAS:	348-36-7
Synonyms:	ethyl 5-fluoro-1H-indole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 5-fluoro-1H-indole-2-carboxylate
Description:	Ethyl 5-fluoroindole-2-carboxylate (CAS# 348-36-7) is a useful research chemical.
Molecular Weight:	207.20
Molecular Formula:	C11H10FNO2
Canonical SMILES:	CCOC(=O)C1=CC2=C(N1)C=CC(=C2)F
InChI:	InChI=1S/C11H10FNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
InChI Key:	VIKOQTQMWBKMNA-UHFFFAOYSA-N
Boiling Point:	312 °C at 760 mmHg
Purity:	95 %
Density:	1.491 g/cm³
MDL:	MFCD00152076
LogP:	2.48370

Publication Number	Title	Priority Date
WO-2021164735-A1	Heteroaryl heterocyclic compounds and uses thereof	20200220
WO-2020173935-A1	New isoindolinone substituted indoles and derivatives as ras inhibitors	20190226
CN-113474340-A	Novel isoindolinone substituted indoles and derivatives as RAS inhibitors	20190226
WO-2020033784-A1	Transglutaminase 2 (tg2) inhibitors	20180810
TW-202023553-A	Transglutaminase 2 (tg2) inhibitors	20180810

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.06955672
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.06955672
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3