2- (4-Chlorophenoxy) nicotinaldehyde

CAT: 0127-OR15159-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-OR15159-01Size:500 mg

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CAS Number

478031-03-7

Synonyms

2- (4-Chlorophenoxy) pyridine-3-carboxaldehyde

MDL Number

MFCD00794360

Purity

95%

Smiles

Clc1ccc(Oc2ncccc2C=O)cc1

Chemical Information

2-(4-Chlorophenoxy)nicotinaldehyde

CAS Number	478031-03-7
PubChem CID	3485254
IUPAC Name	2-(4-chlorophenoxy)pyridine-3-carbaldehyde
Molecular Formula	C12H8ClNO2
Molecular Weight	233.65
XLogP	2.8
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	229

SMILES

C1=CC(=C(N=C1)OC2=CC=C(C=C2)Cl)C=O

InChI

InChI=1S/C12H8ClNO2/c13-10-3-5-11(6-4-10)16-12-9(8-15)2-1-7-14-12/h1-8H

InChIKey

CQXMTALCLMFFTL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 478031-03-7

CID: 3485254

Formula: C12H8ClNO2

MW: 233.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.65
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	233.0243562
Monoisotopic Mass	233.0243562
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	229
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
OR1051338-01	6- (4-Chlorophenoxy) nicotinaldehyde
OR1083102-01	6- (2-chlorophenoxy) nicotinaldehyde
PC1010213	2-Fluoro-4- (methylthio) nicotinaldehyde
PC1022141-01	2-Chloro-4- (4-fluorophenyl) nicotinaldehyde
OR16861-01	4-Chloro-2- (dimethylamino) nicotinaldehyde
PC8955-01	4- (Trifluoromethyl) nicotinaldehyde
OR53002	4- (Tributylstannyl) nicotinaldehyde
OR23391	2- (Morpholin-4-yl) nicotinaldehyde
PC103467-01	6- (2,4-Difluorophenyl) nicotinaldehyde
PC250048	4-Chloro-2- (trifluoromethyl) nicotinaldehyde

Catalog	Name
sc-311583	2- (4-Chlorophenoxy) nicotinaldehyde
sc-261514	4- (Tributylstannyl) nicotinaldehyde
sc-325659A	6- (4-Formylphenyl) nicotinaldehyde
sc-305606	2- (4-Methylphenoxy) nicotinaldehyde
sc-305435A	2- (4-Benzylpiperazino) nicotinaldehyde
sc-325648	6- (4-Benzylpiperazino) nicotinaldehyde
sc-325670A	6- (4-Methylphenoxy) nicotinaldehyde
sc-320796	2- (4-Fluorophenyl) nicotinaldehyde
sc-311603	2- (4-Chlorophenyl) nicotinaldehyde
YKB79575-01	6- (4-Methylphenyl) nicotinaldehyde