1-(3-Bromophenyl)cyclopropanecarbonitrile - CAS 124276-83-1

Catalog:	BB005860
Product Name:	1-(3-Bromophenyl)cyclopropanecarbonitrile
CAS:	124276-83-1
Synonyms:	1-(3-bromophenyl)-1-cyclopropanecarbonitrile; 1-(3-bromophenyl)cyclopropane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3-bromophenyl)cyclopropane-1-carbonitrile
Description:	1-(3-Bromophenyl)cyclopropanecarbonitrile (CAS# 124276-83-1) is a useful research chemical.
Molecular Weight:	222.08
Molecular Formula:	C10H8BrN
Canonical SMILES:	C1CC1(C#N)C2=CC(=CC=C2)Br
InChI:	InChI=1S/C10H8BrN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5H2
InChI Key:	VHNBUFCWKWBTIZ-UHFFFAOYSA-N
Boiling Point:	334.3 °C at 760 mmHg
Density:	1.53 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD07374414
LogP:	3.00428

Publication Number	Title	Priority Date
CA-3050348-A1	A novel process for the synthesis of 1-aryl-1-trifluoromethylcyclopropanes	20170206
CN-110234622-A	For synthesizing the novel method of 1- aryl -1- trifluoromethyl cyclopropane	20170206
EP-3577099-A1	A novel process for the synthesis of 1-aryl-1-trifluoromethylcyclopropanes	20170206
KR-20190116350-A	New synthesis method of 1-aryl-1-trifluoromethylcyclopropane	20170206
TW-201833069-A	Novel method for the synthesis of 1-aryl-1-trifluoromethylcyclopropane	20170206

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Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.98401
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.98401
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6