AG0016L2

1220039-52-0 | 1H-Indole-3-carboxylic acid, 4-fluoro-, methyl ester

AG0016L2

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CAS Number	1220039-52-0
Catalog Number	AG0016L2(AGN-PC-0HX67K)
Chemical Name	1H-Indole-3-carboxylic acid, 4-fluoro-, methyl ester
IUPAC Name	methyl 4-fluoro-1H-indole-3-carboxylate
InChI	InChI=1S/C10H8FNO2/c1-14-10(13)6-5-12-8-4-2-3-7(11)9(6)8/h2-5,12H,1H3
InChI Key	JADKJZGVQAWWPT-UHFFFAOYSA-N
MDL Number	MFCD09841615
Molecular Formula	C10H8FNO2
Molecular Weight	193.1744
SMILES	O=C(C1=CNC2=C1C(F)=CC=C2)OC
Synonyms	methyl 4-fluoro-1H-indole-3-carboxylate, 1220039-52-0, 4-FLUORO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER, Methyl 4-Fluoroindole-3-carboxylate, 1H-Indole-3-carboxylic acid, 4-fluoro-, methyl ester, SCHEMBL2035795, JADKJZGVQAWWPT-UHFFFAOYSA-N, 4276AJ, ZINC88189316, AKOS006326894, SY058867, AJ-128117, MFCD09841615 (95%), Z-5071, Z1537729852, C10H8FNO2,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.054g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.177g/mol
Monoisotopic Mass	193.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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