Ethyl 6-Chloroindole-2-carboxylate - CAS 27034-51-1

Catalog:	BB019448
Product Name:	Ethyl 6-Chloroindole-2-carboxylate
CAS:	27034-51-1
Synonyms:	6-chloro-1H-indole-2-carboxylic acid ethyl ester; ethyl 6-chloro-1H-indole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	ethyl 6-chloro-1H-indole-2-carboxylate
Description:	Ethyl 6-Chloroindole-2-carboxylate (CAS# 27034-51-1) is a useful research chemical.
Molecular Weight:	223.66
Molecular Formula:	C11H10ClNO2
Canonical SMILES:	CCOC(=O)C1=CC2=C(N1)C=C(C=C2)Cl
InChI:	InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3
InChI Key:	FSMZLIBWSAMADK-UHFFFAOYSA-N
Boiling Point:	375 °C at 760 mmHg
Density:	1.329 g/cm³
MDL:	MFCD03084731
LogP:	2.99800

Publication Number	Title	Priority Date
CN-111153850-A	Indole compound, preparation method thereof, pharmaceutical composition and application	20200117
CN-111153850-B	Indole compound, preparation method thereof, pharmaceutical composition and application	20200117
US-2020299285-A1	Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective mcl-1 inhibitors and as dual mcl-1/bcl-2 inhibitors	20190321
WO-2019199979-A1	Antibacterial compounds	20180410
US-2021251958-A1	Antibacterial Compounds	20180410

PMID	Publication Date	Title	Journal
22241067	20120101	Peculiarity of methoxy group-substituted phenylhydrazones in Fischer indole synthesis	Proceedings of the Japan Academy. Series B, Physical and biological sciences

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone
[448-36-2]
2-Methoxy-4-(trifluoromethyl)benzoic Acid

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:	223.0400063
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.0400063
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8