2-Methoxy-4-nitrophenylboronic Acid - CAS 949892-13-1

Catalog:	BB041594
Product Name:	2-Methoxy-4-nitrophenylboronic Acid
CAS:	949892-13-1
Synonyms:	(2-methoxy-4-nitrophenyl)boronic acid; (2-methoxy-4-nitrophenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2-methoxy-4-nitrophenyl)boronic acid
Description:	2-Methoxy-4-nitrophenylboronic Acid (CAS# 949892-13-1 ) is a useful research chemical.
Molecular Weight:	196.95
Molecular Formula:	C7H8NO5B
Canonical SMILES:	B(C1=C(C=C(C=C1)[N+](=O)[O-])OC)(O)O
InChI:	InChI=1S/C7H8BNO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key:	FUPWIVCAJNLSGK-UHFFFAOYSA-N
LogP:	-0.19360

Publication Number	Title	Priority Date
EP-1995242-A1	Novel 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity	20060314
ES-2396711-T3	New 1,2,3,4-tetrahydroquinoxaline derivative that has glucocorticoid receptor binding activity	20060314
US-2009111807-A1	Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity	20060314
US-2013303537-A1	1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity	20060314
US-8551991-B2	1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity	20060314

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Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.0495525
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	197.0495525
Rotatable Bond Count:	2
Topological Polar Surface Area:	95.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0