AG003MRN

399-76-8 | 5-Fluoroindole-2-carboxylic acid

AG003MRN

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CAS Number	399-76-8
Catalog Number	AG003MRN(AGN-PC-0JK60P)
Chemical Name	5-Fluoroindole-2-carboxylic acid
EC Number	206-919-5
IUPAC Name	5-fluoro-1H-indole-2-carboxylic acid
InChI	InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
InChI Key	WTXBRZCVLDTWLP-UHFFFAOYSA-N
MDL Number	MFCD00005612
Molecular Formula	C9H6FNO2
Molecular Weight	179.1478
SMILES	O=C(C(N1)=CC2=C1C=CC(F)=C2)O
Synonyms	5-fluoroindole-2-carboxylic acid, 5-Fluoroindole-2-carboxylic acid, 399-76-8, 5-Fluoro-1H-indole-2-carboxylic acid, 2-Carboxy-5-fluoroindole, 1H-Indole-2-carboxylic acid, 5-fluoro-, MFCD00005612, CHEMBL23507, MLS000080089, WTXBRZCVLDTWLP-UHFFFAOYSA-N, SMR000037735, 5-Fluoroindole-2-carboxylic acid, 98%, Spectrum_001495, EINECS 206-919-5, PubChem1683, SpecPlus_000678, Opera_ID_1340, Spectrum2_001469, Spectrum3_001043, Spectrum4_001182, Spectrum5_001733, ACMC-209j9k, AC1L1CB9, AC1Q4NE3, AC1Q73TI, AC1Q73TJ, cid_1820, Lopac-265128, Lopac0_000071, Oprea1_012690, 5-F-ICA, BSPBio_002566, KBioGR_001843, KBioSS_001975, KSC224O4B, MLS000069465, MLS001201811, DivK1c_006774, SCHEMBL209759, SPECTRUM1502092, SPBio_001397, 2-Carboxy-5-fluoro-1H-indole, 5-fluorindole-2-carboxylic acid, CTK1C4740, KBio1_001718, KBio2_001975, KBio2_004543, KBio2_007111, KBio3_001786, TIMTEC-BB SBB010058, ZINC83028, AKOS JY2082860, DTXSID10192945, CHEBI:111276, OTAVA-BB 1056235, 5-fluoro 2 indole carboxylic acid, 5-fluoro indole-2-carboxylic acid, 5-fluoro-2-indole carboxylic acid, AM973, HMS2233A14, HMS3260O03, ACT02473, KS-000005CY, Tox21_500071, 5fluoro-1H-indole-2-carboxylic acid, ANW-29238, BBL027533, BDBM50009126, CCG-39179, CF-579, LABOTEST-BB LT00452936, SBB010058, STK296660, AKOS000139135, AC-9839, AS02105, CM13610, CS-W017282, FS-1258, LP00071, LS20431, MCULE-7105968907, RP03141, RTR-015945, TRA0000228, VI30046, 1H-Indole-2-carboxylicacid, 5-fluoro-, 5-Fluoroindole-2-carboxylic acid, 99%, NCGC00014995-01, NCGC00014995-02, NCGC00014995-03, NCGC00014995-04, NCGC00014995-05, NCGC00014995-06, NCGC00014995-07, NCGC00014995-08, NCGC00014995-09, NCGC00014995-10, NCGC00022203-04, NCGC00022203-05, NCGC00022203-06, NCGC00022203-07, NCGC00260756-01, 5-Fluoro-1H-indole-2-carboxylic acid #, AJ-10624, AN-44727, BR-30506, N496, SC-46131, AB0015822, AB1005656, DB-031611, ST2406261, TL8002889, TR-015945, BB 0248945, EU-0100071, F0716, FT-0620422, ST45136260, EN300-28441, A22124, S-3777, AB00053198-15, 399F768, SR-01000003027, SR-01000003027-2, BRD-K55273157-001-02-9, BRD-K55273157-001-13-6, Z235348085, 5-Fluoro-1h-indole-2-carboxylic acid; 2-Carboxy-5-fluoroindole, C9H6FNO2, D06BFH, CID1820, C9-H6-F-N-O2, 1-Methanesulfonyl-2-methyl-benzene, AR-1G8186, ACN-041567, F-5200, 15854-08-7, 42169-77-7, 6942-36-5, FIC,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number