N-Boc-3-bromo-4-methylindole - CAS 1305320-64-2

Catalog:	BB007126
Product Name:	N-Boc-3-bromo-4-methylindole
CAS:	1305320-64-2
Synonyms:	3-bromo-4-methyl-1-indolecarboxylic acid tert-butyl ester; tert-butyl 3-bromo-4-methylindole-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-bromo-4-methylindole-1-carboxylate
Description:	N-Boc-3-bromo-4-methylindole (CAS# 1305320-64-2) is a useful research chemical.
Molecular Weight:	310.19
Molecular Formula:	C14H16BrNO2
Canonical SMILES:	CC1=C2C(=CC=C1)N(C=C2Br)C(=O)OC(C)(C)C
InChI:	InChI=1S/C14H16BrNO2/c1-9-6-5-7-11-12(9)10(15)8-16(11)13(17)18-14(2,3)4/h5-8H,1-4H3
InChI Key:	QWVXXRZFCVHOPO-UHFFFAOYSA-N
LogP:	4.49540

Publication Number	Title	Priority Date
WO-2020074926-A1	Cyclohexapeptides as selective somatostatin sst5 receptor agonists	20181012
CN-113195517-A	As selective somatostatin SST5Cyclohexapeptides of receptor agonists	20181012
EP-3864026-A1	Cyclohexapeptides as selective somatostatin sst5 receptor agonists	20181012

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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:	4.3