2- (4-Bromophenoxy) nicotinonitrile

CAT: 0127-OR110472Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

82523-99-7

MDL Number

MFCD09941971

Purity

=95%

Smiles

Brc1ccc(Oc2ncccc2C#N)cc1

Chemical Information

2-(4-Bromophenoxy)nicotinonitrile

CAS Number	82523-99-7
PubChem CID	12938591
IUPAC Name	2-(4-bromophenoxy)pyridine-3-carbonitrile
Molecular Formula	C12H7BrN2O
Molecular Weight	275.10
XLogP	3.1
Topological Polar Surface Area	45.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	267

SMILES

C1=CC(=C(N=C1)OC2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C12H7BrN2O/c13-10-3-5-11(6-4-10)16-12-9(8-14)2-1-7-15-12/h1-7H

InChIKey

ZAOQHTDPJWAMIB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 82523-99-7

CID: 12938591

Formula: C12H7BrN2O

MW: 275.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.10
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	273.97418
Monoisotopic Mass	273.97418
Topological Polar Surface Area	45.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	267
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR110475	6- (4-Bromophenoxy) nicotinonitrile
OR110948	2- (4-Chlorophenoxy) nicotinonitrile
OR110471	2- (4-Formylphenoxy) nicotinonitrile
OR110473	2- (4-Iodophenoxy) nicotinonitrile
OR111487	2- (2,4-Dichlorophenoxy) nicotinonitrile
OR1092904	2- (4-Bromophenoxy) aniline
OR1029631-01	2- (4-Bromophenoxy) Ethanol
OR1095904	2- (4-bromophenoxy) pyrimidine
OR1021078-01	2- (4'-Bromophenoxy) -tetrahydropyran
OR1098862-01	2- (4-bromophenoxy) thiazole

Catalog	Name
430334-01	4-Amino-nicotinonitrile
GTR19252685-01	4- (Trifluoromethyl) nicotinonitrile
434497-01	5- (4-Formylphenyl) nicotinonitrile
sc-311217	6- (4-Formylphenyl) nicotinonitrile
sc-325673	6- (4-Propoxyphenoxy) nicotinonitrile
sc-506784	2- (4-Chlorophenoxy) nicotinonitrile
sc-506981	6- (4-Chlorophenoxy) nicotinonitrile
sc-307391	2-Chloro-4- (4-fluorophenyl) nicotinonitrile
sc-307392A	2-Chloro-4- (4-methylphenyl) nicotinonitrile
JKA68328	6- (Morpholin-4-yl) nicotinonitrile