AG00D4B9

313337-35-8 | 4-FLUORO-7-INDOLE CARBOXYLIC ACID METHYL ESTER

AG00D4B9

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CAS Number	313337-35-8
Catalog Number	AG00D4B9(AGN-PC-03PDRY)
Chemical Name	4-FLUORO-7-INDOLE CARBOXYLIC ACID METHYL ESTER
IUPAC Name	methyl 4-fluoro-1H-indole-7-carboxylate
InChI	InChI=1S/C10H8FNO2/c1-14-10(13)7-2-3-8(11)6-4-5-12-9(6)7/h2-5,12H,1H3
InChI Key	HEQXLRSGYSDTAZ-UHFFFAOYSA-N
MDL Number	MFCD11845610
Molecular Formula	C10H8FNO2
Molecular Weight	193.1744
SMILES	O=C(C1=CC=C(F)C2=C1NC=C2)OC
Synonyms	Methyl 4-fluoro-1H-indole-7-carboxylate, 313337-35-8, 4-Fluoro-7-indole carboxylic acid methyl ester, 4-FLUORO-1H-INDOLE-7-CARBOXYLIC ACID METHYL ESTER, 4-fluoro-7-carbomethoxy indole, SCHEMBL5258354, DTXSID60625894, HEQXLRSGYSDTAZ-UHFFFAOYSA-N, Methyl 4-Fluoroindole-7-carboxylate, 3362AB, MFCD11845610, ZINC44184850, AKOS016000900, methyl (4-fluoro)indole-7-carboxylate, DS-5892, FCH1184496, PB22539, AK128582, SC-61883, AJ-109490, AX8250644, W-2573, 1H-INDOLE-7-CARBOXYLIC ACID,4-FLUORO-,METHYL ESTER, C10H8FNO2, Methyl4-fluoro-1H-indole-7-carboxylate,

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

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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