Benzhydroxamic acid - CAS 495-18-1

Catalog:	BB026718
Product Name:	Benzhydroxamic acid
CAS:	495-18-1
Synonyms:	N-hydroxybenzamide

Technical Data

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Computed Properties

IUPAC Name:	N-hydroxybenzamide
Description:	Benzhydroxamic acid (CAS# 495-18-1) is a compound useful in organic synthesis.
Molecular Weight:	137.14
Molecular Formula:	C7H7NO2
Canonical SMILES:	C1=CC=C(C=C1)C(=O)NO
InChI:	InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)
InChI Key:	VDEUYMSGMPQMIK-UHFFFAOYSA-N
Boiling Point:	327.1 ℃ at 760 mmHg
Melting Point:	126-130 ℃
Purity:	95 %
Density:	1.237 g/cm³
Appearance:	Rhombic crystals or light beige solid.
Storage:	0-6 ℃
MDL:	MFCD00002109
LogP:	1.19650

Publication Number	Title	Priority Date
WO-2021113419-A1	Compositions having pesticidal utility and processes related thereto	20191206
WO-2021107110-A1	Benzimidazole compound or salt thereof, agricultural and horticultural insecticidal and acaricidal agent comprising said compound, and method for using said insecticidal and acaricidal agent	20191128
WO-2021107113-A1	Benzimidazole compound or salts thereof, agricultural and horticultural insecticide/acaricide containing said compound, and method for using same	20191128
WO-2021094594-A1	Soil wetter composition	20191113
US-2021115301-A1	Self-stopping polishing composition and method	20191022

PMID	Publication Date	Title	Journal
27129421	20161125	Novel bifunctional hybrid small molecule scavengers for mitigating nerve agents toxicity	Chemico-biological interactions
22173483	20120401	Study of the role played by NfsA, NfsB nitroreductase and NemA flavin reductase from Escherichia coli in the conversion of ethyl 2-(2'-nitrophenoxy)acetate to 4-hydroxy-(2H)-1,4-benzoxazin-3(4H)-one (D-DIBOA), a benzohydroxamic acid with interesting biological properties	Applied microbiology and biotechnology
22264153	20120214	Structure of mandelate racemase with bound intermediate analogues benzohydroxamate and cupferron	Biochemistry
22830334	20120101	Derivatives of resveratrol: potential agents in prevention and treatment of cardiovascular disease	Current medicinal chemistry
21936529	20111017	Route to metallacrowns: the mechanism of formation of a dinuclear iron(III)-salicylhydroxamate complex	Inorganic chemistry

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Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.047678466
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	137.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3