N-(3-Bromo-4-methoxyphenyl)acetamide - CAS 6943-73-3

Catalog:	BB033826
Product Name:	N-(3-Bromo-4-methoxyphenyl)acetamide
CAS:	6943-73-3
Synonyms:	N-(3-bromo-4-methoxyphenyl)acetamide; N-(3-bromo-4-methoxyphenyl)acetamide

Technical Data

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Computed Properties

IUPAC Name:	N-(3-bromo-4-methoxyphenyl)acetamide
Description:	N-(3-Bromo-4-methoxyphenyl)acetamide (CAS# 6943-73-3) is a useful research chemical.
Molecular Weight:	244.09
Molecular Formula:	C9H10BrNO2
Canonical SMILES:	CC(=O)NC1=CC(=C(C=C1)OC)Br
InChI:	InChI=1S/C9H10BrNO2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,1-2H3,(H,11,12)
InChI Key:	FOMGGBXHSUSZFZ-UHFFFAOYSA-N
Boiling Point:	380.5 °C at 760 mmHg
Density:	1.5 g/cm³
LogP:	2.48910

Publication Number	Title	Priority Date
WO-2019195063-A1	Aza-benzothiophene compounds as sting agonists	20180403
EP-3350187-A1	Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use	20150915
US-10556914-B2	Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use	20150915
US-2017073353-A1	Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use	20150915
US-2019367531-A1	Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use	20150915

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[17746-05-3]
Undecanoyl chloride
[70199-62-1]
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[55441-25-3]
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[1006443-01-1]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.98949
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.98949
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9