AG00BYME

399-67-7 | 7-Fluoro-1H-indole-2-carboxylic acid

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CAS Number	399-67-7
Catalog Number	AG00BYME(AGN-PC-0KPYRD)
Chemical Name	7-Fluoro-1H-indole-2-carboxylic acid
IUPAC Name	7-fluoro-1H-indole-2-carboxylic acid
InChI	InChI=1S/C9H6FNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11H,(H,12,13)
InChI Key	SCWBSQNVKBIKRY-UHFFFAOYSA-N
MDL Number	MFCD02664429
Molecular Formula	C9H6FNO2
Molecular Weight	179.1478
SMILES	O=C(C(N1)=CC2=C1C(F)=CC=C2)O
Synonyms	7-Fluoro-1H-indole-2-carboxylic acid, 399-67-7, 7-fluoroindole-2-carboxylic acid, 1H-Indole-2-carboxylic acid, 7-fluoro-, BAS 10146487, AC1MKMF4, SCHEMBL1145013, CTK4I2187, KS-00000HPI, DTXSID70390203, SCWBSQNVKBIKRY-UHFFFAOYSA-N, 7-fluoro-indole-2-carboxylic acid, ALBB-005032, ZINC3748653, ANW-64202, BBL022254, CF-042, MFCD02664429, STK501550, AKOS000145389, CS-W005660, FS-2497, MCULE-7546016562, RP24039, AJ-45514, AK-35025, BR-35025, EN002421, SC-52059, AB0024713, TR-015938, 4CH-008536, BB 0248939, FT-0677547, ST24029940, ST50289476, W6035, S-5483, 7-Fluoro-1H-indole-2-carboxylic acid, AldrichCPR, I10-0548, J-519241, C9H6FNO2, 2-oxaspiro[3.5]nonan-7-one, 7-Fluoro-1H-indole-2-carboxylicacid, 7-Chloro-1H-indole-2-carboxylic acid, CID3159626, 1256546-74-3,

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

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