N-Boc-3-bromo-2-methylindole - CAS 775305-12-9

Catalog:	BB035976
Product Name:	N-Boc-3-bromo-2-methylindole
CAS:	775305-12-9
Synonyms:	3-bromo-2-methyl-1-indolecarboxylic acid tert-butyl ester; tert-butyl 3-bromo-2-methylindole-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-bromo-2-methylindole-1-carboxylate
Description:	N-Boc-3-bromo-2-methylindole (CAS# 775305-12-9) is a useful research chemical.
Molecular Weight:	310.19
Molecular Formula:	C14H16BrNO2
Canonical SMILES:	CC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)Br
InChI:	InChI=1S/C14H16BrNO2/c1-9-12(15)10-7-5-6-8-11(10)16(9)13(17)18-14(2,3)4/h5-8H,1-4H3
InChI Key:	RUAYZSFSPSZYHI-UHFFFAOYSA-N
Boiling Point:	384.4 °C at 760 mmHg
Density:	1.34 g/cm³
LogP:	4.49540

Publication Number	Title	Priority Date
WO-2020198478-A1	Serotonin 5-ht2b inhibitory compounds	20190328
TW-201738206-A	Halogenated allylamine oxime and azaindole derivative inhibitors from amine oxime oxidase and use thereof	20160212
CN-104557874-A	Quinoline amido indolyl zinc, magnesium and calcium compound as well as preparation method and application thereof	20141216
CN-104557874-B	Quinoline amido indyl zinc, magnesium, calcium compounds and its preparation method and application	20141216
US-2012184510-A1	Cold menthol receptor-1 antagonists	20110114

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Related Functional Groups

Indoles

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Complexity:	326
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	309.03644
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	309.03644
Rotatable Bond Count:	2
Topological Polar Surface Area:	31.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4