AG002FOX

192189-10-9 | 1H-Indole-1-carboxylic acid, 3-iodo-5-methoxy-, 1,1-dimethylethyl ester

AG002FOX

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CAS Number	192189-10-9
Catalog Number	AG002FOX(AGN-PC-0N8WR6)
Chemical Name	1H-Indole-1-carboxylic acid, 3-iodo-5-methoxy-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-iodo-5-methoxyindole-1-carboxylate
InChI	InChI=1S/C14H16INO3/c1-14(2,3)19-13(17)16-8-11(15)10-7-9(18-4)5-6-12(10)16/h5-8H,1-4H3
InChI Key	RWYNBDBUFOORRC-UHFFFAOYSA-N
MDL Number	MFCD05864763
Molecular Formula	C14H16INO3
Molecular Weight	373.1862
SMILES	O=C(N1C=C(I)C2=C1C=CC(OC)=C2)OC(C)(C)C
Synonyms	tert-Butyl 3-iodo-5-methoxy-1H-indole-1-carboxylate, 192189-10-9, 3-Iodo-5-methoxyindole-1-carboxylic acid tert-butyl ester, tert-butyl 3-iodo-5-methoxyindole-1-carboxylate, AK-80237, SCHEMBL14304582, CTK4E0922, DTXSID90443588, KS-00000NN8, ZINC2563779, ZX-AT008983, ANW-63538, MFCD05864763, OR1713, AKOS015911396, DS-2426, 3-Iodo-5-methoxyindole, N-BOC protected, ACM192189109, AJ-40891, CJ-09636, AB0068667, AX8087487, DB-002014, RT-008757, ST2419943, 4CH-015594, FT-0709785, Z4349, M-8363, I14-39626, 3-Iodo-5-methoxy-1H-indole-1-carboxylic acid tert-butyl ester, 5-Methoxy-3-iodo-1H-indole-1-carboxylic acid tert-butyl ester, 1H-Indole-1-carboxylic acid, 3-iodo-5-methoxy-, 1,1-dimethylethyl ester, 1H-Indole-1-carboxylicacid, 3-iodo-5-methoxy-, 1,1-dimethylethyl ester, C14H16INO3, CID10690715, Tert-butyl 3-iodo-5-methoxy-indole-1-carboxylate,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	373.017g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	373.19g/mol
Monoisotopic Mass	373.017g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

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

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