Methyl 5-Bromoindole-7-carboxylate - CAS 860624-89-1

Catalog:	BB037813
Product Name:	Methyl 5-Bromoindole-7-carboxylate
CAS:	860624-89-1
Synonyms:	5-bromo-1H-indole-7-carboxylic acid methyl ester; methyl 5-bromo-1H-indole-7-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-1H-indole-7-carboxylate
Description:	Methyl 5-Bromoindole-7-carboxylate (CAS# 860624-89-1) is a useful research chemical.
Molecular Weight:	254.08
Molecular Formula:	C10H8BrNO2
Canonical SMILES:	COC(=O)C1=C2C(=CC(=C1)Br)C=CN2
InChI:	InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-7(11)4-6-2-3-12-9(6)8/h2-5,12H,1H3
InChI Key:	YSFZPMNRVJTVIV-UHFFFAOYSA-N
Boiling Point:	382.6 °C at 760 mmHg
Density:	1.629 g/cm³
LogP:	2.71700

Publication Number	Title	Priority Date
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
TW-201734013-A	Selective inhibitor of clinically important mutants of EGFR tyrosine kinase	20160107
US-10435388-B2	Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase	20160107

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Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.97384
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6