AG002M5A

23077-43-2 | 1H-Indole-3-carboxylic acid, 5-fluoro-

AG002M5A

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CAS Number	23077-43-2
Catalog Number	AG002M5A(AGN-PC-01LRJV)
Chemical Name	1H-Indole-3-carboxylic acid, 5-fluoro-
IUPAC Name	5-fluoro-1H-indole-3-carboxylic acid
InChI	InChI=1S/C9H6FNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)
InChI Key	SDZBAXLIHRBNOV-UHFFFAOYSA-N
MDL Number	MFCD00047171
Molecular Formula	C9H6FNO2
Molecular Weight	179.1478
SMILES	O=C(C1=CNC2=C1C=C(F)C=C2)O
Synonyms	5-fluoro-1H-indole-3-carboxylic acid, 23077-43-2, 5-Fluoroindole-3-carboxylic acid, 1H-Indole-3-carboxylic acid, 5-fluoro-, 1H-INDOLE-3-CARBOXYLIC ACID,5-FLUORO, EC-000.1923, PubChem7981, Intermediates-ZCF02619, SCHEMBL784795, CTK1A1334, DTXSID10590780, SDZBAXLIHRBNOV-UHFFFAOYSA-N, KS-00000F5P, ANW-45702, CF-637, MFCD00047171, ZINC20269201, AKOS005362543, AS06055, CM13611, CS-W005342, LS20293, MCULE-4247521443, QC-1466, RD-0121, 1H-Indole-3-carboxylicacid, 5-fluoro-, 5-fluoranyl-1H-indole-3-carboxylic acid, AJ-76735, AK-88687, AN-16418, DS-18503, SC-02668, SY058805, ST2412002, TC-134447, FT-0657341, W4691, 5-fluoroindole-3-carboxylic acid, AldrichCPR, MFCD00047171 (95%), F50002, Z-5072, 077F432, A816559, I10-0169, J-517549, C9H6FNO2, 5-Fluoro-indole-3-carboxylic acid,

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

Certificate of Analysis

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