AG00IF72

885522-78-1 | 1H-Indole-6-carboxylic acid, 4-chloro-, Methyl ester

AG00IF72

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CAS Number	885522-78-1
Catalog Number	AG00IF72(AGN-PC-0WA4LV)
Chemical Name	1H-Indole-6-carboxylic acid, 4-chloro-, Methyl ester
IUPAC Name	methyl 4-chloro-1H-indole-6-carboxylate
InChI	InChI=1S/C10H8ClNO2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,1H3
InChI Key	JUXKOXNZVJDRIQ-UHFFFAOYSA-N
MDL Number	MFCD07781543
Molecular Formula	C10H8ClNO2
Molecular Weight	209.6290
SMILES	O=C(C1=CC2=C(C(Cl)=C1)C=CN2)OC
Synonyms	methyl 4-chloro-1H-indole-6-carboxylate, 885522-78-1, 4-Chloro-6-indolecarboxylic acid methyl ester, AK141061, Methyl 4-chloroindole-6-carboxyate, KS-00000RTM, DTXSID20646520, CM-707, MFCD07781543, ZINC14984760, AKOS022173133, DS-7199, FCH1385695, QC-2860, AJ-66219, SC-68610, AB0049686, AX8281261, W-3378, 1H-Indole-6-carboxylic acid, 4-chloro-, Methyl ester,

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	2.5

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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