AG0002YI

100821-50-9 | 1H-Indole-3-carboxylic acid, 6-chloro-, ethyl ester

AG0002YI

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CAS Number	100821-50-9
Catalog Number	AG0002YI(AGN-PC-00NO52)
Chemical Name	1H-Indole-3-carboxylic acid, 6-chloro-, ethyl ester
IUPAC Name	ethyl 6-chloro-1H-indole-3-carboxylate
InChI	InChI=1S/C11H10ClNO2/c1-2-15-11(14)9-6-13-10-5-7(12)3-4-8(9)10/h3-6,13H,2H2,1H3
InChI Key	RZLGWHAWFSRKRB-UHFFFAOYSA-N
MDL Number	MFCD11617105
Molecular Formula	C11H10ClNO2
Molecular Weight	223.6556
SMILES	ClC1=CC=C2C(=CNC2=C1)C(=O)OCC
Synonyms	Ethyl 6-chloro-1H-indole-3-carboxylate, 100821-50-9, 1H-Indole-3-carboxylic acid, 6-chloro-, ethyl ester, 1H-INDOLE-3-CARBOXYLIC ACID, 6-CHLORO-,ETHYL ESTER, AK131104, ACMC-20ee12, CTK3J9277, DTXSID60547406, Ethyl 6-Chloroindole-3-carboxylate, MFCD11617105, ZINC49588591, AKOS015851243, DS-6848, KS-0000010U, CJ-20630, SC-61151, SY058840, ethyl 6-chloranyl-1H-indole-3-carboxylate, AJ-111359, AX8252027, ST2406987, TR-033790, 4CH-017327, CS-0041983, FT-0653268, MFCD11617105 (95%), 6-chloro-1H-indole-3-carboxylic acid ethyl ester, A800276, I14-7478, 1H-INDOLE-3-CARBOXYLIC ACID,6-CHLORO-,ETHYL ESTER, Ethyl6-chloro-1H-indole-3-carboxylate,

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	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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