1-Boc-6-bromoindole-2-boronic Acid - CAS 1217500-59-8

Name: 1-Boc-6-bromoindole-2-boronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB005261
Product Name:	1-Boc-6-bromoindole-2-boronic Acid
CAS:	1217500-59-8
Synonyms:	[6-bromo-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-indolyl]boronic acid; [6-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid

Technical Data

IUPAC Name:	[6-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Description:	1-Boc-6-bromoindole-2-boronic Acid (CAS# 1217500-59-8) is a useful research chemical.
Molecular Weight:	339.98
Molecular Formula:	C13H15BrNO4B
Canonical SMILES:	B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)Br)(O)O
InChI:	InChI=1S/C13H15BBrNO4/c1-13(2,3)20-12(17)16-10-7-9(15)5-4-8(10)6-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI Key:	RMYFCWUHNRAJJC-UHFFFAOYSA-N
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	1.86680

Publication Number	Title	Priority Date
US-2020197391-A1	Compounds that participate in cooperative binding and uses thereof	20181221
TW-202039509-A	Compounds that participate in cooperative binding and uses thereof	20181221
CN-113498342-A	Compounds involved in synergistic binding and uses thereof	20181221
KR-20210116479-A	Compounds participating in co-binding and uses thereof	20181221
AU-2018224166-A1	Aryl hydrocarbon receptor (AhR) modulator compounds	20170221

Complexity:	374
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	339.02775
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	339.02775
Rotatable Bond Count:	3
Topological Polar Surface Area:	71.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0