AG004R50

858515-66-9 | 7-Fluoro-1H-indole-3-carboxylic acid

AG004R50

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CAS Number	858515-66-9
Catalog Number	AG004R50(AGN-PC-05EXP7)
Chemical Name	7-Fluoro-1H-indole-3-carboxylic acid
IUPAC Name	7-fluoro-1H-indole-3-carboxylic acid
InChI	InChI=1S/C9H6FNO2/c10-7-3-1-2-5-6(9(12)13)4-11-8(5)7/h1-4,11H,(H,12,13)
InChI Key	BGNHSQYGVIUBBX-UHFFFAOYSA-N
MDL Number	MFCD09954940
Molecular Formula	C9H6FNO2
Molecular Weight	179.1478
SMILES	C(=O)(O)c1c2c([nH]c1)c(F)ccc2
Synonyms	7-Fluoro-1H-indole-3-carboxylic acid, 858515-66-9, 7-Fluoroindole-3-carboxylic acid, AK-79530, 1H-INDOLE-3-CARBOXYLIC ACID,7-FLUORO, SCHEMBL2035484, CTK8C2501, KS-00000QMQ, DTXSID60651658, BGNHSQYGVIUBBX-UHFFFAOYSA-N, ANW-68496, FCH878775, MFCD09954940, ZINC20269203, AKOS006313824, CF-1038, CS-W007060, RP03143, VI30354, AJ-76737, AN-16430, DS-17678, SC-61131, SY058815, AX8238476, DB-076462, TC-157241, 4CH-003293, FT-0711096, ST24045653, Y4338, MFCD09954940 (95%), F12327, J-519242, C9H6FNO2, 1H-Indole-3-carboxylic acid, 7-fluoro-,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.15g/mol
Monoisotopic Mass	179.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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