AG00GUQE

921194-97-0 | 1H-INDOLE-3-CARBOXYLIC ACID,6-CHLORO-,METHYL ESTER

AG00GUQE

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CAS Number	921194-97-0
Catalog Number	AG00GUQE(AGN-PC-0NUIK4)
Chemical Name	1H-INDOLE-3-CARBOXYLIC ACID,6-CHLORO-,METHYL ESTER
IUPAC Name	methyl 6-chloro-1H-indole-3-carboxylate
InChI	InChI=1S/C10H8ClNO2/c1-14-10(13)8-5-12-9-4-6(11)2-3-7(8)9/h2-5,12H,1H3
InChI Key	ZUPVYZOPRHZKNJ-UHFFFAOYSA-N
MDL Number	MFCD09836004
Molecular Formula	C10H8ClNO2
Molecular Weight	209.6290
SMILES	COC(=O)C1=CNC2=C1C=CC(Cl)=C2
Synonyms	methyl 6-chloro-1H-indole-3-carboxylate, 921194-97-0, 6-CHLORO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER, Methyl 6-Chloroindole-3-carboxylate, 1H-Indole-3-carboxylic acid, 6-chloro-, methyl ester, 1H-INDOLE-3-CARBOXYLIC ACID,6-CHLORO-,METHYL ESTER, Methyl 6-chloroindole-3-carboxyate, PubChem19845, Methyl 6-chloro-1H-indole-3-carboxylatemethyl ester, SCHEMBL3094622, CTK3G2192, KS-00000QMS, DTXSID70677728, ZUPVYZOPRHZKNJ-UHFFFAOYSA-N, 5560AC, ANW-68491, MFCD09836004, ZINC64198462, AKOS015898338, CM-1935, AK-79536, AS-10344, SC-61150, SC-63801, SY058817, AJ-114839, TC-157236, CS-0036177, FT-0716198, ST24048040, MFCD09836004 (95%), I10-0810, C10H8CLNO2, 1H-INDOLE-3-CARBOXYLICACID,6-CHLORO-,METHYLESTER,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.024g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.629g/mol
Monoisotopic Mass	209.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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