AG000PA1

1196048-19-7 | 1H-Indole-7-carboxylic acid, 4-fluoro-, ethyl ester

AG000PA1

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CAS Number	1196048-19-7
Catalog Number	AG000PA1(AGN-PC-0WD2JU)
Chemical Name	1H-Indole-7-carboxylic acid, 4-fluoro-, ethyl ester
IUPAC Name	ethyl 4-fluoro-1H-indole-7-carboxylate
InChI	InChI=1S/C11H10FNO2/c1-2-15-11(14)8-3-4-9(12)7-5-6-13-10(7)8/h3-6,13H,2H2,1H3
InChI Key	IDBKQONTDHZFFN-UHFFFAOYSA-N
MDL Number	MFCD26143075
Molecular Formula	C11H10FNO2
Molecular Weight	207.2010
SMILES	CCOC(=O)C1=CC=C(C2=C1NC=C2)F
Synonyms	Ethyl 4-fluoro-1H-indole-7-carboxylate, 1196048-19-7, AK134671, SCHEMBL12583931, KS-00000RKV, DTXSID80729080, 3364AA, ZINC95093427, DS-4796, AJ-132517, AX8256439, CS-0036119, C11H10FNO2, Ethyl 4-fluoro indole-7-carboxylate, Ethyl4-fluoro-1H-indole-7-carboxylate, 1242336-78-2,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.07g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.204g/mol
Monoisotopic Mass	207.07g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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