AG00C5O6

408356-39-8 | Methyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate

AG00C5O6

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CAS Number	408356-39-8
Catalog Number	AG00C5O6(AGN-PC-0RP800)
Chemical Name	Methyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate
IUPAC Name	methyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate
InChI	InChI=1S/C11H8FNO3/c1-16-11(15)10(14)8-5-13-9-3-2-6(12)4-7(8)9/h2-5,13H,1H3
InChI Key	YMYPFEWHMRWVDP-UHFFFAOYSA-N
MDL Number	MFCD08445356
Molecular Formula	C11H8FNO3
Molecular Weight	221.1845
SMILES	O=C(OC)C(C1=CNC2=C1C=C(F)C=C2)=O
Synonyms	408356-39-8, methyl 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetate, methyl (5-fluoro-1H-indol-3-yl)(oxo)acetate, Methyl 2-(5-Fluoro-3-indolyl)-2-oxoacetate, methyl 2-(5-fluoroindol-3-yl)-2-oxoacetate, SCHEMBL6030723, CTK8I6335, YMYPFEWHMRWVDP-UHFFFAOYSA-N, ZX-RL006863, MFCD08445356, SBB014389, STK689843, ZINC12417275, AKOS005601778, MCULE-8273771687, ACM408356398, AK165584, PC410231, SC-57679, SY058576, ST4134121, MFCD08445356 (95%), Methyl 2-(5-Fluoro-1H-indol-3-yl)oxoacetate, 1H-INDOLE-3-ACETIC ACID,5-FLUORO-|A-OXO-,METHYL EST, METHYL ACETATE,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.049g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.187g/mol
Monoisotopic Mass	221.049g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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