1-Boc-3-iodoindole - CAS 192189-07-4

Catalog:	BB014857
Product Name:	1-Boc-3-iodoindole
CAS:	192189-07-4
Synonyms:	3-iodo-1-indolecarboxylic acid tert-butyl ester; tert-butyl 3-iodoindole-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-iodoindole-1-carboxylate
Description:	1-Boc-3-iodoindole (CAS# 192189-07-4) is a useful research chemical.
Molecular Weight:	343.16
Molecular Formula:	C13H14INO2
Canonical SMILES:	CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)I
InChI:	InChI=1S/C13H14INO2/c1-13(2,3)17-12(16)15-8-10(14)9-6-4-5-7-11(9)15/h4-8H,1-3H3
InChI Key:	LOFWPZQNSUAMCV-UHFFFAOYSA-N
Boiling Point:	388.4 °C at 760 mmHg
Density:	1.56 g/cm³
MDL:	MFCD05864781
LogP:	4.02910

Publication Number	Title	Priority Date
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704
CN-110759893-A	Hyrtinadidine alkaloid derivative, preparation thereof and application thereof in resisting plant viruses and germs	20180726
US-10669255-B2	Pyrrole derivatives	20160406
US-2019100506-A1	Pyrrole Derivatives	20160406
WO-2017173604-A1	Pyrrole derivatives	20160406

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Related Functional Groups

Indoles

[1884330-89-5]
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[2642-37-7]
Indoxyl sulfate potassium salt
[119910-45-1]
2-bromo-1H-indole-3-carbaldehyde
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[365547-91-7]
Ethyl 2-amino-5-chloro-1H-indole-3-carboxylate
[1375064-65-5]
Ethyl 3-Bromo-5-chloroindole-1-carboxylate

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Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	343.00693
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	343.00693
Rotatable Bond Count:	2
Topological Polar Surface Area:	31.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9