1-Boc-3-iodo-1H-indazole - CAS 290368-00-2

Catalog:	BB020057
Product Name:	1-Boc-3-iodo-1H-indazole
CAS:	290368-00-2
Synonyms:	3-iodo-1-indazolecarboxylic acid tert-butyl ester; tert-butyl 3-iodoindazole-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-iodoindazole-1-carboxylate
Description:	1-Boc-3-iodo-1H-indazole (CAS# 290368-00-2) is a useful research chemical.
Molecular Weight:	344.15
Molecular Formula:	C12H13IN2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=N1)I
InChI:	InChI=1S/C12H13IN2O2/c1-12(2,3)17-11(16)15-9-7-5-4-6-8(9)10(13)14-15/h4-7H,1-3H3
InChI Key:	DHNSGIOEVGLLOI-UHFFFAOYSA-N
Boiling Point:	398 °C at 760 mmHg
Density:	1.65 g/cm³
MDL:	MFCD09835520
LogP:	3.42410

Publication Number	Title	Priority Date
US-2020399241-A1	3-arylindazoles as selective mek4 inhibitors	20190624
WO-2017148995-A1	1-(pyrimidin-2-yl)-1h-indazoles having bub1 kinase inhibiting activity	20160304
EP-3399968-A1	Selective inhibitors of clinically important mutants of the egfr tyrosine kinase	20160107
JP-2019501222-A	Selective inhibitors of clinically important variants of EGFR tyrosine kinase	20160107
KR-20180105161-A	Selective inhibitors of clinically important mutants of EGFR tyrosine kinase	20160107

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	303
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	344.00218
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	344.00218
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5