AG002M59

23077-44-3 | 1H-Indole-3-carboxylic acid, 6-fluoro-

AG002M59

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CAS Number	23077-44-3
Catalog Number	AG002M59(AGN-PC-05EXP5)
Chemical Name	1H-Indole-3-carboxylic acid, 6-fluoro-
IUPAC Name	6-fluoro-1H-indole-3-carboxylic acid
InChI	InChI=1S/C9H6FNO2/c10-5-1-2-6-7(9(12)13)4-11-8(6)3-5/h1-4,11H,(H,12,13)
InChI Key	ITDFSNLFIZWJDB-UHFFFAOYSA-N
MDL Number	MFCD06203359
Molecular Formula	C9H6FNO2
Molecular Weight	179.1478
SMILES	O=C(C1=CNC2=C1C=CC(F)=C2)O
Synonyms	6-fluoro-1H-indole-3-carboxylic acid, 23077-44-3, 6-Fluoroindole-3-carboxylic acid, 1H-Indole-3-carboxylic acid, 6-fluoro-, AC1Q740X, SCHEMBL2818109, CTK7C1337, DTXSID00651657, KS-00000RY8, 7848AD, MFCD06203359, ZINC20269202, AKOS005362541, CS-W006480, MCULE-5028951448, NE38725, RD-0132, AJ-76736, AK-26640, AN-16426, DS-10787, SC-23264, SY058811, FT-0752746, ST24045361, EN300-52728, MFCD06203359 (95%), 1H-INDOLE-3-CARBOXYLIC ACID,6-FLUORO-, AB01004788-01, J-518702, C9H6FNO2, 6-FLUORO-1H-INDOLE-3-CARBOXYLICACID,

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	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
Signal Words	danger
UN Code	UN 2811

Certificate of Analysis

Lot Number