AG0031PJ

3093-97-8 | 1H-Indole-2-carboxylic acid, 6-fluoro-

AG0031PJ

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CAS Number	3093-97-8
Catalog Number	AG0031PJ(AGN-PC-0L8X03)
Chemical Name	1H-Indole-2-carboxylic acid, 6-fluoro-
IUPAC Name	6-fluoro-1H-indole-2-carboxylic acid
InChI	InChI=1S/C9H6FNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)
InChI Key	LRTIKMXIKAOCDM-UHFFFAOYSA-N
MDL Number	MFCD01863162
Molecular Formula	C9H6FNO2
Molecular Weight	179.1478
SMILES	C(=O)(O)c1cc2c([nH]1)cc(cc2)F
Synonyms	6-Fluoroindole-2-carboxylic acid, 3093-97-8, 6-Fluoro-1H-indole-2-carboxylic acid, 1H-Indole-2-carboxylic acid, 6-fluoro-, PubChem1684, BAS 12768063, AC1N7SAY, AC1Q73VV, EVOBLOCKS EB21007, PHARMABRIDGE P-2999, SCHEMBL1144377, CTK1C2252, 6-FLUORO-2-CARBOXYINDOLE, AKOS JY2083056, DTXSID50401780, OTAVA-BB 1149676, 6-fluoro indole-2-carboxylic acid, HMS1699P02, ACT02553, BCP26686, ZINC2386976, ANW-47466, BBL020775, CF-225, MFCD01863162, SBB017983, STK893465, AKOS000302315, AC-9840, AS02106, ASINEX-REAG BAS 12768063, BH-0440, CM13608, CS-W001533, MCULE-8668027408, RP03140, SB18478, VI30047, 1H-Indole-2-carboxylicacid, 6-fluoro-, KS-0000068R, AJ-35414, AK-34615, BR-34615, N500, SC-03312, AB0015826, AB1005657, DB-005394, ST2406487, TC-068894, TL8002370, 1H-6-FLUOROINDOLE-2-CARBOXYLIC ACID, BB 0248960, F0835, FT-0601324, ST50294003, EN300-15088, 1H-INDOLE-2-CARBOXYLIC ACID,6-FLUORO-, M-2642, 093F978, I01-2952, J-518701, Z235352193, C9H6FNO2, CID4307444, 2222-33-5,

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	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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