Methyl 6-Bromoindole-4-carboxylate - CAS 107650-22-6

Catalog:	BB002115
Product Name:	Methyl 6-Bromoindole-4-carboxylate
CAS:	107650-22-6
Synonyms:	6-bromo-1H-indole-4-carboxylic acid methyl ester; methyl 6-bromo-1H-indole-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 6-bromo-1H-indole-4-carboxylate
Description:	Methyl 6-Bromoindole-4-carboxylate (CAS# 107650-22-6) is a reactant used in the synthesis of potent, selective chymase inhibitors.
Molecular Weight:	254.08
Molecular Formula:	C10H8BrNO2
Canonical SMILES:	COC(=O)C1=CC(=CC2=C1C=CN2)Br
InChI:	InChI=1S/C10H8BrNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3
InChI Key:	KPFSQBKJYHWFME-UHFFFAOYSA-N
Boiling Point:	382.6 °C at 760 mmHg
Density:	1.629 g/cm³
MDL:	MFCD07357290
LogP:	2.71700

Publication Number	Title	Priority Date
US-2021139517-A1	Bicyclic heteroaryl compounds and uses thereof	20191108
WO-2021092115-A1	Bicyclic heteroaryl compounds and uses thereof	20191108
WO-2021087087-A1	N-cyclohexyl-5-(thiazol-5-yl)-1h-indole-7-carboxamide derivatives and related compounds as cd38 inhibitors for increasing nad+ and for the treatment of e.g. muscular disorders	20191030
WO-2020192562-A1	Substituted heterocyclic amide compound and preparation method therefor and pharmaceutical use thereof	20190322
CN-113508109-A	Substituted heterocyclic amide compound, preparation method and medical application thereof	20190322

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

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