3-Methoxy-4-(4-methyl-1-imidazolyl)phenylboronic Acid - CAS 1145786-45-3

Name: 3-Methoxy-4-(4-methyl-1-imidazolyl)phenylboronic Acid
Brand: BOC Sciences
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Catalog:	BB003405
Product Name:	3-Methoxy-4-(4-methyl-1-imidazolyl)phenylboronic Acid
CAS:	1145786-45-3
Synonyms:	[3-methoxy-4-(4-methyl-1-imidazolyl)phenyl]boronic acid; [3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boronic acid

Technical Data

IUPAC Name:	[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boronic acid
Description:	3-Methoxy-4-(4-methyl-1-imidazolyl)phenylboronic Acid (CAS# 1145786-45-3) is a useful research chemical.
Molecular Weight:	232.04
Molecular Formula:	C11H13N2O3B
Canonical SMILES:	B(C1=CC(=C(C=C1)N2C=C(N=C2)C)OC)(O)O
InChI:	InChI=1S/C11H13BN2O3/c1-8-6-14(7-13-8)10-4-3-9(12(15)16)5-11(10)17-2/h3-7,15-16H,1-2H3
InChI Key:	OMGGGTOQGOMAKG-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD19053227
LogP:	-0.13090

Publication Number	Title	Priority Date
US-2012135981-A1	Novel substituted triazole and imidazole derivatives as gamma secretase modulators	20090715
US-8946266-B2	Substituted triazole and imidazole derivatives as gamma secretase modulators	20090715
US-2010298359-A1	Gamma secretase modulators	20071206
US-2011015190-A1	Gamma secretase modulators	20071206
US-8450343-B2	Gamma secretase modulators	20071206

Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.1019224
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	232.1019224
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0