4-Fluoro-N-methoxy-N-methylbenzamide - CAS 116332-54-8

Catalog:	BB003744
Product Name:	4-Fluoro-N-methoxy-N-methylbenzamide
CAS:	116332-54-8
Synonyms:	4-fluoro-N-methoxy-N-methylbenzamide; 4-fluoro-N-methoxy-N-methylbenzamide

Technical Data

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Computed Properties

IUPAC Name:	4-fluoro-N-methoxy-N-methylbenzamide
Description:	4-Fluoro-N-methoxy-N-methylbenzamide (CAS# 116332-54-8) is a useful research chemical.
Molecular Weight:	183.18
Molecular Formula:	C9H10FNO2
Canonical SMILES:	CN(C(=O)C1=CC=C(C=C1)F)OC
InChI:	InChI=1S/C9H10FNO2/c1-11(13-2)9(12)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChI Key:	DSUFRPVVBZLHPI-UHFFFAOYSA-N
Appearance:	Colorless clear liquid
LogP:	1.45910

Publication Number	Title	Priority Date
WO-2020210669-A1	Crystalline forms of (s)-1-(4-fluorophenyl)-1-(2-(4-(6-(1-methyl-1h-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazinyl)-pyrimidin-5-yl)ethan-1-amine and methods of making	20190412
EP-3856341-A1	Crystalline forms of (s)-1-(4-fluorophenyl)-1-(2-(4-(6-(1-methyl-1h-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazinyl)-pyrimidin-5-yl)ethan-1-amine and methods of making	20190412
TW-202104232-A	Crystalline forms of (s)-1-(4-fluorophenyl)-1-(2-(4-(6-(1-methyl-1h-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazinyl)-pyrimidin-5-yl)ethan-1-amine and methods of making	20190412
US-2021147433-A1	Crystalline forms of (s)-1-(4-fluorophenyl)-1-(2-(4-(6-(1-methyl-1h-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazinyl)-pyrimidin-5-yl)ethan-1-amine and methods of making	20190412
JP-2020147524-A	Pollen tube growth regulator	20190313

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.06955672
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.06955672
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5