4-Fluorobenzamide - CAS 824-75-9

Catalog:	BB036840
Product Name:	4-Fluorobenzamide
CAS:	824-75-9
Synonyms:	4-fluorobenzamide; 4-fluorobenzamide

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Computed Properties

IUPAC Name:	4-fluorobenzamide
Description:	4-Fluorobenzamide (CAS# 824-75-9) is a useful research chemical compound.
Molecular Weight:	139.13
Molecular Formula:	C7H6FNO
Canonical SMILES:	C1=CC(=CC=C1C(=O)N)F
InChI:	InChI=1S/C7H6FNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChI Key:	VNDHYTGVCGVETQ-UHFFFAOYSA-N
Boiling Point:	287 °C
Density:	1.43 g/cm³
MDL:	MFCD00007992
LogP:	1.62490

Publication Number	Title	Priority Date
CN-113426482-A	Application method of sodium triethylborohydride, organic amine compound and preparation method thereof	20210727
CN-112961079-A	Method for dehydrating primary amide into nitriles by cobalt catalysis	20210304
CN-112250675-A	Tyrosine kinase inhibitor containing amide structure and preparation method thereof	20201119
CN-112299938-A	Method for preparing amine compound by reducing amide compound	20201112
CN-111875515-A	Method for generating amide by catalyzing primary amine with metal complex	20200904

PMID	Publication Date	Title	Journal
22278093	20120501	Intranasally administered neuropeptide S (NPS) exerts anxiolytic effects following internalization into NPS receptor-expressing neurons	Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology
22479518	20120101	Molecular evolution of the neuropeptide S receptor	PloS one
22574506	20120101	Metabolic stability of new anticonvulsants in body fluids and organ homogenates	Acta poloniae pharmaceutica
21707994	20110627	The asthma candidate gene NPSR1 mediates isoform specific downstream signalling	BMC pulmonary medicine
21466221	20110428	Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68)	Journal of medicinal chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.043341977
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.043341977
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9