2-(4-Bromophenyl)tetrahydrofuran - CAS 194725-15-0

Catalog:	BB015073
Product Name:	2-(4-Bromophenyl)tetrahydrofuran
CAS:	194725-15-0
Synonyms:	2-(4-bromophenyl)oxolane; 2-(4-bromophenyl)oxolane

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Computed Properties

IUPAC Name:	2-(4-bromophenyl)oxolane
Description:	2-(4-Bromophenyl)tetrahydrofuran (CAS# 194725-15-0) is a useful research chemical.
Molecular Weight:	227.10
Molecular Formula:	C10H11BrO
Canonical SMILES:	C1CC(OC1)C2=CC=C(C=C2)Br
InChI:	InChI=1S/C10H11BrO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10H,1-2,7H2
InChI Key:	OUJWSBTVHIGHIS-UHFFFAOYSA-N
LogP:	3.30060

Publication Number	Title	Priority Date
WO-2020247475-A1	Imidazo[1,2-c]pyrimidine derivatives as prc2 inhibitors for treating cancer	20190605
WO-2020219448-A1	Naphthyridine derivatives as prc2 inhibitors	20190422
WO-2019152419-A1	Prc2 inhibitors	20180131
AU-2019214861-A1	PRC2 inhibitors	20180131
CN-112004816-A	PRC2 inhibitors	20180131

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.99933
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.99933
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8