3-Amino-4-fluoro-2-methylphenylboronic Acid Pinacol Ester - CAS 1227210-37-8

Name: 3-Amino-4-fluoro-2-methylphenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB005468
Product Name:	3-Amino-4-fluoro-2-methylphenylboronic Acid Pinacol Ester
CAS:	1227210-37-8
Synonyms:	6-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 6-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Technical Data

IUPAC Name:	6-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Description:	3-Amino-4-fluoro-2-methylphenylboronic Acid Pinacol Ester (CAS# 1227210-37-8 ) is a useful research chemical.
Molecular Weight:	251.10
Molecular Formula:	C13H19FNO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)F)N)C
InChI:	InChI=1S/C13H19BFNO2/c1-8-9(6-7-10(15)11(8)16)14-17-12(2,3)13(4,5)18-14/h6-7H,16H2,1-5H3
InChI Key:	RCRQHOCOLMHIIJ-UHFFFAOYSA-N
MDL:	MFCD24040111
LogP:	2.59670

Publication Number	Title	Priority Date
WO-2015079251-A1	Quinazoline compounds	20131129
EP-2365970-A1	Pyridazinones and their use as btk inhibitors	20081112
EP-2365970-B1	Pyridazinones and their use as btk inhibitors	20081112
US-2011301145-A1	Pyridazinones, method of making, and method of use thereof	20081112
US-8598174-B2	Pyridazinones, method of making, and method of use thereof	20081112

Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.1492872
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	251.1492872
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0