AG002M5B

23077-42-1 | 1H-Indole-3-carboxylic acid, 4-fluoro-

AG002M5B

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CAS Number	23077-42-1
Catalog Number	AG002M5B(AGN-PC-05EXP2)
Chemical Name	1H-Indole-3-carboxylic acid, 4-fluoro-
IUPAC Name	4-fluoro-1H-indole-3-carboxylic acid
InChI	InChI=1S/C9H6FNO2/c10-6-2-1-3-7-8(6)5(4-11-7)9(12)13/h1-4,11H,(H,12,13)
InChI Key	RDCCTSJRSSJAFO-UHFFFAOYSA-N
MDL Number	MFCD09954941
Molecular Formula	C9H6FNO2
Molecular Weight	179.1478
SMILES	O=C(C1=CNC2=C1C(F)=CC=C2)O
Synonyms	4-FLUORO-1H-INDOLE-3-CARBOXYLIC ACID, 23077-42-1, 4-Fluoroindole-3-carboxylic acid, 1H-Indole-3-carboxylic acid, 4-fluoro-, 1H-INDOLE-3-CARBOXYLIC ACID,4-FLUORO-, SCHEMBL2034897, CTK8B9913, DTXSID40651656, RDCCTSJRSSJAFO-UHFFFAOYSA-N, 4-fluoro-indole-3-carboxylic acid, 1500AB, ANW-63558, MFCD09954941, ZINC20269200, AKOS006313825, MCULE-7675935317, RD-0113, VI30224, AJ-76734, AN-16422, AS-32981, SC-12924, SY046829, DB-058037, TC-152303, FT-0725334, ST24043723, MFCD09954941 (95%), Z-5070, J-515406, C9H6FNO2, 4-Fluoro-1H-indole-3-carboxylicacid, 1H-INDOLE-3-CARBOXYLICACID,4-FLUORO-,

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	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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