2-Methyl-4-nitrophenylboronic Acid - CAS 1228829-54-6

Catalog:	BB005585
Product Name:	2-Methyl-4-nitrophenylboronic Acid
CAS:	1228829-54-6
Synonyms:	(2-methyl-4-nitrophenyl)boronic acid; (2-methyl-4-nitrophenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2-methyl-4-nitrophenyl)boronic acid
Description:	2-Methyl-4-nitrophenylboronic Acid (CAS# 1228829-54-6) is a useful research chemical.
Molecular Weight:	180.95
Molecular Formula:	C7H8NO4B
Canonical SMILES:	B(C1=C(C=C(C=C1)[N+](=O)[O-])C)(O)O
InChI:	InChI=1S/C7H8BNO4/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4,10-11H,1H3
InChI Key:	MTRNMFMWHXCMFQ-UHFFFAOYSA-N
LogP:	0.10620

Publication Number	Title	Priority Date
JP-2018170236-A	Nonaqueous electrolyte for batteries and lithium secondary battery	20170330
JP-6884020-B2	Non-aqueous electrolyte for batteries and lithium secondary battery	20170330
JP-2016095965-A	Non-aqueous electrolyte, power storage device including the same, and power storage device including the power storage device	20141113
CN-102219800-B	Organic substituted boric acid ester, boron affinity functional material using organic substituted boric acid ester as functional monomer as well as preparation and application of organic substituted boric acid ester	20110420
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416

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Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.0546379
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	181.0546379
Rotatable Bond Count:	1
Topological Polar Surface Area:	86.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0