AG00I9MX

53995-82-7 | 1H-​Indole-​2-​carboxylic acid, 4,​6-​dichloro-​, ethyl ester

AG00I9MX

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CAS Number	53995-82-7
Catalog Number	AG00I9MX(AGN-PC-0KK7SX)
Chemical Name	1H-​Indole-​2-​carboxylic acid, 4,​6-​dichloro-​, ethyl ester
IUPAC Name	ethyl 4,6-dichloro-1H-indole-2-carboxylate
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
MDL Number	MFCD00800654
Molecular Formula	C11H9Cl2NO2
Molecular Weight	258.1007
SMILES	Clc1c2c([nH]c(c2)C(=O)OCC)cc(c1)Cl
Synonyms	ethyl 4,6-dichloro-1H-indole-2-carboxylate, 53995-82-7, ethyl 4,6-dichloroindole-2-carboxylate, 1H-Indole-2-carboxylic acid, 4,6-dichloro-, ethyl ester, Ethyl4,6-dichloro-1H-indole, PubChem23782, AC1MC5IR, SCHEMBL1093057, CTK4J9256, KS-00001CJD, DTXSID10371339, 2-carboethoxy-4,6-dichloroindole, YLAHLUPONQVSOT-UHFFFAOYSA-N, 4,6-dichloro-1-ethyl-1H-indole, ZINC2570131, ANW-54748, BBL020614, CE-194, MFCD00800654, STK893304, AKOS001476262, AB07295, AC-9001, AN-7442, ETHYL 4,6-DICHLORO-1H-INDOLE, MCULE-1995087658, QC-9712, RP06296, ethyl,4,6-dichloroindole-2-carboxylate, NCGC00336984-01, AJ-41834, CJ-09886, DS-10621, AB0041606, DB-012473, TC-061125, 4CH-010537, FT-0649146, ST24024919, Y9391, M-8523, AB01330205-02, 4,6-dichloroindole-2-carboxylic acid ethyl ester, 995E827, ETHYL4,6-DICHLORO-1H-INDOLE-2-CARBOXYLATE, 4,6-dichloro-indole-2-carboxylic acid, ethyl ester, I10-0426, Q-102090, 4,6-dichloro-1h-indole-2-carboxylic acid ethyl ester, 1H-Indole-2-carboxylicacid, 4,6-dichloro-, ethyl ester, Z1741969524, C11H9Cl2NO2, ZINC02570131, Ethyl4,6-dichloroindole-2-carboxylate, CID2736407, A7846,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.001g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.098g/mol
Monoisotopic Mass	257.001g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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