AG002PC8

247564-66-5 | 1H-​Indole-​2-​carboxylic acid, 4,​6-​difluoro-

AG002PC8

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CAS Number	247564-66-5
Catalog Number	AG002PC8(AGN-PC-0KUMR6)
Chemical Name	1H-​Indole-​2-​carboxylic acid, 4,​6-​difluoro-
IUPAC Name	4,6-difluoro-1H-indole-2-carboxylic acid
InChI	InChI=1S/C9H5F2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)
InChI Key	OCHGGXDZJGAUEU-UHFFFAOYSA-N
MDL Number	MFCD01863158
Molecular Formula	C9H5F2NO2
Molecular Weight	197.1383
SMILES	Fc1c2c([nH]c(c2)C(=O)O)cc(c1)F
Synonyms	4,6-Difluoroindole-2-carboxylic acid, 247564-66-5, 4,6-difluoro-1H-indole-2-carboxylic Acid, 1H-Indole-2-carboxylic acid, 4,6-difluoro-, 4,6-Difluoroindole-2-carboxylicacid, PubChem1676, ACMC-209ged, AC1MQGL8, Intermediates-ZCF02664, AC1Q73ST, KSC201O3R, SCHEMBL1144892, 4,6-Difluoro-2-carboxy Indole, CTK1A1738, KS-00000ZVY, DTXSID70392601, OCHGGXDZJGAUEU-UHFFFAOYSA-N, WT226, ZINC2386972, ANW-25523, BBL021271, CD-743, MFCD01863158, SBB066638, STK893977, AKOS000118386, AS05059, CM13600, DS-0850, MCULE-8703960833, RP25510, SB15049, AC-22693, AJ-35411, AK-34333, BC202346, BR-34333, N452, SC-02852, AB0015795, AB1005648, DB-008367, RT-009044, 1H-Indole-2-carboxylicacid, 4,6-difluoro-, AM20061078, BB 0248962, FT-0644113, ST24032684, EN300-15093, S-3922, 4,6-bis(fluoranyl)-1H-indole-2-carboxylic acid, 564D665, A817476, I10-0098, J-514156, 247564-66-5 4,6-difluoroindole-2-carboxylic acid, Z197513750, 4,6-Difluoro-1H-indole-2-carboxylic acid; 4,6-Difluoroindole-2-carboxylic acid, C9H5F2NO2, 2,4,5-Trifluorobenzyl bromide, 4,6-Difluoro indole-2-carboxylicacid, CID3451441,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.029g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	197.141g/mol
Monoisotopic Mass	197.029g/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
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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