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1-(4-Bromophenyl)cyclobutanecarbonitrile

1-(4-Bromophenyl)cyclobutanecarbonitrile - CAS 485828-58-8

Catalog:	BB026556
Product Name:	1-(4-Bromophenyl)cyclobutanecarbonitrile
CAS:	485828-58-8
Synonyms:	1-(4-bromophenyl)-1-cyclobutanecarbonitrile; 1-(4-bromophenyl)cyclobutane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-bromophenyl)cyclobutane-1-carbonitrile
Description:	1-(4-Bromophenyl)cyclobutanecarbonitrile (CAS# 485828-58-8 ) is a useful research chemical.
Molecular Weight:	236.11
Molecular Formula:	C11H10BrN
Canonical SMILES:	C1CC(C1)(C#N)C2=CC=C(C=C2)Br
InChI:	InChI=1S/C11H10BrN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2
InChI Key:	DZWFVACFASLQKS-UHFFFAOYSA-N
Boiling Point:	336.236 °C at 760 mmHg
Density:	1.469 g/cm³
MDL:	MFCD10688823
LogP:	3.39438

Publication Number	Title	Priority Date
US-2020087331-A1	Chemoselective methylene hydroxylation in aromatic molecules	20180913
US-10961266-B2	Chemoselective methylene hydroxylation in aromatic molecules	20180913
CN-110997653-A	Aryl heterocyclic piperidone formyl peptide 2 receptor and formyl peptide 1 receptor agonists	20170609
EP-3634956-A1	Aryl heterocyclic piperidinone formyl peptide 2 receptor and formyl peptide 1 receptor agonists	20170609
KR-20200014895-A	Aryl Heterocyclic Piperidinone Formyl Peptide 2 Receptor and Formyl Peptide 1 Receptor Agonists	20170609

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Related Functional Groups

Halides

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Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.99966
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.99966
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2