4-(Trifluoromethyl)indole-3-carbaldehyde - CAS 959236-12-5

Catalog:	BB041883
Product Name:	4-(Trifluoromethyl)indole-3-carbaldehyde
CAS:	959236-12-5
Synonyms:	4-(trifluoromethyl)-1H-indole-3-carboxaldehyde; 4-(trifluoromethyl)-1H-indole-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-(trifluoromethyl)-1H-indole-3-carbaldehyde
Description:	4-(Trifluoromethyl)indole-3-carbaldehyde (CAS# 959236-12-5 ) is a useful research chemical.
Molecular Weight:	213.16
Molecular Formula:	C10H6F3NO
Canonical SMILES:	C1=CC(=C2C(=C1)NC=C2C=O)C(F)(F)F
InChI:	InChI=1S/C10H6F3NO/c11-10(12,13)7-2-1-3-8-9(7)6(5-15)4-14-8/h1-5,14H
InChI Key:	YGSKOERZFUTESV-UHFFFAOYSA-N
LogP:	2.99920

Publication Number	Title	Priority Date
US-2020199118-A1	Antibacterial compounds	20170316
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-2013281324-A1	Bi-functinal complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2009108551-A2	Heteroaryl amide analogues	20080225

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Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.0401483
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.0401483
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4