AG003UKC

374818-66-3 | Tert-butyl 5-iodo-1H-indole-1-carboxylate

AG003UKC

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CAS Number	374818-66-3
Catalog Number	AG003UKC(AGN-PC-00T1V6)
Chemical Name	Tert-butyl 5-iodo-1H-indole-1-carboxylate
IUPAC Name	tert-butyl 5-iodoindole-1-carboxylate
InChI	InChI=1S/C13H14INO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,1-3H3
InChI Key	RMYVMKHVFXTKPF-UHFFFAOYSA-N
MDL Number	MFCD09258644
Molecular Formula	C13H14INO2
Molecular Weight	343.1602
SMILES	O=C(N1C=CC2=C1C=CC(I)=C2)OC(C)(C)C
Synonyms	tert-Butyl 5-iodo-1H-indole-1-carboxylate, 374818-66-3, 1-BOC-5-iodoindole, 1-(tert-Butoxycarbonyl)-5-iodo-1H-indole, ACMC-209itb, SCHEMBL669390, DTXSID10583117, RMYVMKHVFXTKPF-UHFFFAOYSA-N, 5-Iodo-1H-indole,N-boc protected, ZX-AT017990, ANW-28653, MFCD09258644, OR7350, ZINC16124911, 1-(tert-butoxycarbonyl)-5-iodoindole, 5-Iodo-1H-indole, N-BOC protected, AKOS015837007, tert-butyl 5-iodoindole-1-carboxylate, FCH2714427, RTR-015210, ACM374818663, AJ-68384, AS-17977, CJ-15365, AX8231410, TR-015210, V5575, 5-Iodo-indole-1-carboxylic acid tert-butyl ester, I10-892, C13H14INO2, Tert-butyl5-iodo-1H-indole-1-carboxylate,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	343.007g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	343.164g/mol
Monoisotopic Mass	343.007g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	31.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

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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