4-Bromo-2-(difluoromethoxy)benzonitrile - CAS 1261494-95-4

Catalog:	BB006500
Product Name:	4-Bromo-2-(difluoromethoxy)benzonitrile
CAS:	1261494-95-4
Synonyms:	4-bromo-2-(difluoromethoxy)benzonitrile; 4-bromo-2-(difluoromethoxy)benzonitrile

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Computed Properties

IUPAC Name:	4-bromo-2-(difluoromethoxy)benzonitrile
Description:	4-Bromo-2-(difluoromethoxy)benzonitrile (CAS# 1261494-95-4) is a useful research chemical.
Molecular Weight:	248.02
Molecular Formula:	C8H4BrF2NO
Canonical SMILES:	C1=CC(=C(C=C1Br)OC(F)F)C#N
InChI:	InChI=1S/C8H4BrF2NO/c9-6-2-1-5(4-12)7(3-6)13-8(10)11/h1-3,8H
InChI Key:	LBXXMNAPNXRKPB-UHFFFAOYSA-N
LogP:	2.92218

Publication Number	Title	Priority Date
WO-2019149657-A1	Benzyl-, (pyridin-3-yl)methyl- or (pyridin-4-yl)methyl-substituted oxadiazolopyridine derivatives as ghrelin o-acyl transferase (goat) inhibitors	20180202
AU-2019215707-A1	Benzyl-, (pyridin-3-yl)methyl- or (pyridin-4-yl)methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors	20180202
BR-112020013082-A2	benzyl-, (pyridin-3-yl) methyl- or (pyridin-4-yl) methyl-substituted oxadiazolopyridine derivatives as ghrelin o-acyl transferase (goat) inhibitors	20180202
CN-111655700-A	Benzyl-, (pyridin-3-yl) methyl-or (pyridin-4-yl) methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors	20180202
EP-3746451-A1	Benzyl-, (pyridin-3-yl)methyl- or (pyridin-4-yl)methyl-substituted oxadiazolopyridine derivatives as ghrelin o-acyl transferase (goat) inhibitors	20180202

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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:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.94443
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	246.94443
Rotatable Bond Count:	2
Topological Polar Surface Area:	33 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3