2-(3-Bromophenyl)morpholine - CAS 1018612-02-6

Catalog:	BB000678
Product Name:	2-(3-Bromophenyl)morpholine
CAS:	1018612-02-6
Synonyms:	2-(3-bromophenyl)morpholine; 2-(3-bromophenyl)morpholine

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Computed Properties

IUPAC Name:	2-(3-bromophenyl)morpholine
Description:	2-(3-Bromophenyl)morpholine (CAS# 1018612-02-6) is a useful research chemical.
Molecular Weight:	242.11
Molecular Formula:	C10H12BrNO
Canonical SMILES:	C1COC(CN1)C2=CC(=CC=C2)Br
InChI:	InChI=1S/C10H12BrNO/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12H,4-5,7H2
InChI Key:	ZAFIQPSQXJOTKS-UHFFFAOYSA-N
LogP:	2.43880

Publication Number	Title	Priority Date
WO-2018106646-A1	Aminotriazoles for the treatment of demyelinating diseases	20161206
EP-2970342-A1	Substituted silaxanthenium red to near-infrared fluorochromes for in vitro and in vivo imaging and detection	20130315
WO-2014144793-A1	Substituted silaxanthenium red to near-infrared fluorochromes for in vitro and in vivo imaging and detection	20130315
TW-I303171-B	3-substituted-4-pyrimidone derivatives	20010921

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Related Functional Groups

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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+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.01023
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	241.01023
Rotatable Bond Count:	1
Topological Polar Surface Area:	21.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2