5-Methoxy-6-(trifluoromethyl)indole - CAS 178896-78-1

Catalog:	BB013513
Product Name:	5-Methoxy-6-(trifluoromethyl)indole
CAS:	178896-78-1
Synonyms:	5-methoxy-6-(trifluoromethyl)-1H-indole

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Computed Properties

IUPAC Name:	5-methoxy-6-(trifluoromethyl)-1H-indole
Description:	5-Methoxy-6-(trifluoromethyl)indole (CAS# 178896-78-1) is a useful research chemical compound.
Molecular Weight:	215.17
Molecular Formula:	C10H8F3NO
Canonical SMILES:	COC1=C(C=C2C(=C1)C=CN2)C(F)(F)F
InChI:	InChI=1S/C10H8F3NO/c1-15-9-4-6-2-3-14-8(6)5-7(9)10(11,12)13/h2-5,14H,1H3
InChI Key:	KNMAZUXTEPXPOM-UHFFFAOYSA-N
LogP:	3.19530

Publication Number	Title	Priority Date
CA-3060583-A1	Substituted indoline derivatives as dengue viral replication inhibitors	20170522
CN-110691773-A	Substituted indoline derivatives as inhibitors of dengue virus replication	20170522
EP-3630723-A1	Substituted indoline derivatives as dengue viral replication inhibitors	20170522
KR-20200009027-A	Substituted Indoline Derivatives as Dengue Virus Replication Inhibitors	20170522
TW-201908291-A	Substituted porphyrin derivative as a dengue virus replication inhibitor (2)	20170522

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Related Functional Groups

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501
Signal Word:	Danger

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.05579836
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	215.05579836
Rotatable Bond Count:	1
Topological Polar Surface Area:	25
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9