4-Bromo-3-fluoroanisole - CAS 458-50-4

Catalog:	BB025993
Product Name:	4-Bromo-3-fluoroanisole
CAS:	458-50-4
Synonyms:	1-bromo-2-fluoro-4-methoxybenzene; 1-bromo-2-fluoro-4-methoxybenzene

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-bromo-2-fluoro-4-methoxybenzene
Description:	A halo-aryl compound used in the preparation of orally available mGlu1 receptor enhancers.
Molecular Weight:	205.02
Molecular Formula:	C7H6BrFO
Canonical SMILES:	COC1=CC(=C(C=C1)Br)F
InChI:	InChI=1S/C7H6BrFO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChI Key:	XANVIFOBBVAKCY-UHFFFAOYSA-N
Boiling Point:	195.4 °C at 760 mmHg
Density:	1.531 g/cm³
LogP:	2.59680

Publication Number	Title	Priority Date
WO-2021208918-A1	Tricyclic compounds as egfr inhibitors	20200414
JP-2021155384-A	Pyridine-based fluorine-containing aromatic compounds, their production methods, and pest control agents containing them as active ingredients	20200330
KR-20210106874-A	Hole transporting materials for solar cells and solar cells comprising the same	20200221
WO-2021167214-A1	Hole transporting material for solar cell, and solar cell comprising same	20200221
WO-2021055630-A1	Substituted, saturated and unsaturated n-heterocyclic carboxamides and related compounds for their use in the treatment of medical disorders	20190917

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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:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.95861
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.95861
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7