3-Amino-5-(methoxycarbonyl)phenylboronic Acid Pinacol Ester - CAS 850689-27-9

Name: 3-Amino-5-(methoxycarbonyl)phenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB037455
Product Name:	3-Amino-5-(methoxycarbonyl)phenylboronic Acid Pinacol Ester
CAS:	850689-27-9
Synonyms:	3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Technical Data

IUPAC Name:	methyl 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Description:	3-Amino-5-(methoxycarbonyl)phenylboronic Acid Pinacol Ester (CAS# 850689-27-9) is a useful research chemical.
Molecular Weight:	277.12
Molecular Formula:	C14H20NO4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)N)C(=O)OC
InChI:	InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8H,16H2,1-5H3
InChI Key:	LXWQXFHXYBUCJX-UHFFFAOYSA-N
Boiling Point:	432 °C at 760 mmHg
Density:	1.13 g/cm³
MDL:	MFCD09258776
LogP:	1.93580

Publication Number	Title	Priority Date
CN-111868036-A	Heterocyclic ring P2Y14Receptor antagonists	20180209
US-2021047293-A1	Heterocyclic p2y14 receptor antagonists	20180209
US-2010022601-A1	Sulfonamide compounds and the use	20080605
US-8039514-B2	Sulfonamide compounds and use thereof	20080605
CN-101528716-B	Compounds and methods for inhibiting the interaction of BCL proteins with binding partners	20060821

Complexity:	369
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.1485383
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	277.1485383
Rotatable Bond Count:	3
Topological Polar Surface Area:	70.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0