AG000NF7

1252782-43-6 | 1H-Indole-5-carboxylic acid, 4-fluoro-, Methyl ester

AG000NF7

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CAS Number	1252782-43-6
Catalog Number	AG000NF7(AGN-PC-0WANAV)
Chemical Name	1H-Indole-5-carboxylic acid, 4-fluoro-, Methyl ester
IUPAC Name	methyl 4-fluoro-1H-indole-5-carboxylate
InChI	InChI=1S/C10H8FNO2/c1-14-10(13)7-2-3-8-6(9(7)11)4-5-12-8/h2-5,12H,1H3
InChI Key	XMAMXSQVTKMOPG-UHFFFAOYSA-N
MDL Number	MFCD21336690
Molecular Formula	C10H8FNO2
Molecular Weight	193.1744
SMILES	O=C(C1=C(F)C2=C(NC=C2)C=C1)OC
Synonyms	methyl 4-fluoro-1H-indole-5-carboxylate, 1252782-43-6, AK147140, SCHEMBL912821, XMAMXSQVTKMOPG-UHFFFAOYSA-N, MFCD21336690, ZINC89204429, Methyl 4-fluoro-indole-5-carboxylate, AKOS022187264, DS-8683, FCH1609901, AJ-128428, AX8284621, CS-0054246, ST24047920, 1h-indole-5-carboxylic acid,4-fluoro-,methyl ester, 1H-Indole-5-carboxylic acid, 4-fluoro-, 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	193.054g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.177g/mol
Monoisotopic Mass	193.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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