AG003QA0

53590-46-8 | Ethyl 4-chloro-1H-indole-2-carboxylate

AG003QA0

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CAS Number	53590-46-8
Catalog Number	AG003QA0(AGN-PC-0NFGSA)
Chemical Name	Ethyl 4-chloro-1H-indole-2-carboxylate
IUPAC Name	ethyl 4-chloro-1H-indole-2-carboxylate
InChI	InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,2H2,1H3
InChI Key	XWNVSPGTJSGNPU-UHFFFAOYSA-N
MDL Number	MFCD09264531
Molecular Formula	C11H10ClNO2
Molecular Weight	223.6556
SMILES	CCOC(=O)C1=CC2=C(N1)C=CC=C2Cl
Synonyms	53590-46-8, Ethyl 4-chloro-1H-indole-2-carboxylate, ETHYL-4-CHLOROINDOLE-2-CARBOXYLATE, Ethyl 4-Chloro-2-indolecarboxylate, ethyl 4-chloroindole-2-carboxylate, 4-chloro-1h-indole-2-carboxylic acid ethyl ester, 1H-Indole-2-carboxylic acid, 4-chloro-, ethyl ester, SCHEMBL4044123, CTK4J8420, DTXSID70454314, Ethyl4-Chloro-2-indolecarboxylate, XWNVSPGTJSGNPU-UHFFFAOYSA-N, KS-00000BP3, ANW-59161, MFCD09264531, ZINC26894257, AKOS005254340, AS-8067, TRA0073467, VI30386, AJ-82789, CJ-17544, DA-17863, SY020909, TC-147906, FT-0758074, Y3309, K-9707, MFCD09264531 (97+%), C11H10ClNO2, CID11075028, 4-Chloro-1H-indol-2-carboxylic acid ethyl ester, 98% - 1G 1g,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.04g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.656g/mol
Monoisotopic Mass	223.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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