AG00CJG3

396076-60-1 | 1H-​Indole-​2-​carboxylic acid, 7-​bromo-​5-​fluoro-​, ethyl ester

AG00CJG3

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CAS Number	396076-60-1
Catalog Number	AG00CJG3(AGN-PC-034CSH)
Chemical Name	1H-​Indole-​2-​carboxylic acid, 7-​bromo-​5-​fluoro-​, ethyl ester
IUPAC Name	ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate
InChI	InChI=1S/C11H9BrFNO2/c1-2-16-11(15)9-4-6-3-7(13)5-8(12)10(6)14-9/h3-5,14H,2H2,1H3
InChI Key	ZAUJOWOCPLOJNM-UHFFFAOYSA-N
MDL Number	MFCD16036842
Molecular Formula	C11H9BrFNO2
Molecular Weight	286.0971
SMILES	Brc1c2c(cc([nH]2)C(=O)OCC)cc(c1)F
Synonyms	396076-60-1, Ethyl 7-bromo-5-fluoro-1H-indole-2-carboxylate, 7-bromo-5-fluoro-1H-indole-2-carboxylic acid ethyl ester, Ethyl 7-Bromo-5-fluoroindole-2-carboxylate, SCHEMBL215234, ZAUJOWOCPLOJNM-UHFFFAOYSA-N, 1H-Indole-2-carboxylic acid, 7-bromo-5-fluoro-, ethyl ester, KS-00000BY6, MFCD16036842, AKOS026674113, ZINC113324901, DS-9967, AK198937, SY046031, Ethyl7-Bromo-5-fluoroindole-2-carboxylate, CS-0041156, MFCD16036842 (95%),

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.98g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	286.1g/mol
Monoisotopic Mass	284.98g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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