Ethyl 4,6-Dichloroindole-2-carboxylate - CAS 53995-82-7

Catalog:	BB028445
Product Name:	Ethyl 4,6-Dichloroindole-2-carboxylate
CAS:	53995-82-7
Synonyms:	4,6-dichloro-1H-indole-2-carboxylic acid ethyl ester; ethyl 4,6-dichloro-1H-indole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 4,6-dichloro-1H-indole-2-carboxylate
Description:	Ethyl 4,6-Dichloroindole-2-carboxylate (CAS# 53995-82-7) is a useful research chemical.
Molecular Weight:	258.10
Molecular Formula:	C11H9Cl2NO2
Canonical SMILES:	CCOC(=O)C1=CC2=C(C=C(C=C2N1)Cl)Cl
InChI:	InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,2H2,1H3
InChI Key:	YLAHLUPONQVSOT-UHFFFAOYSA-N
Boiling Point:	405 °C at 760 mmHg
Density:	1.432 g/cm³
MDL:	MFCD00800654
LogP:	3.65140

Publication Number	Title	Priority Date
CN-108864089-B	Indolopyridone drug molecule and preparation method and application thereof	20180801
AU-2018323459-A1	Spirocycle compounds and methods of making and using same	20170829
CA-3072923-A1	Spirocycle compounds and methods of making and using same	20170829
CN-111050765-A	Spiro compounds and methods of making and using the same	20170829
KR-20200046061-A	Spirocycle compounds and methods of making and using them	20170829

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[4313-03-5]
2,4-Heptadienal

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	275
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.0010339
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	257.0010339
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9