2- (4-Chlorophenoxy) nicotinamide

CAT: 0127-OR21709Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR21709Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

175135-80-5

Synonyms

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

MDL Number

MFCD00052120

Purity

=95%

Smiles

NC(=O)c1cccnc1Oc2ccc(Cl)cc2

Chemical Information

2-(4-Chlorophenoxy)nicotinamide

CAS Number	175135-80-5
PubChem CID	2774902
IUPAC Name	2-(4-chlorophenoxy)pyridine-3-carboxamide
Molecular Formula	C12H9ClN2O2
Molecular Weight	248.66
XLogP	2.2
Topological Polar Surface Area	65.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	267

SMILES

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

InChI

InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)17-12-10(11(14)16)2-1-7-15-12/h1-7H,(H2,14,16)

InChIKey

CBSIEDJQUZNDOY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 175135-80-5

CID: 2774902

Formula: C12H9ClN2O2

MW: 248.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.66
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	248.0352552
Monoisotopic Mass	248.0352552
Topological Polar Surface Area	65.2 Å²
Heavy Atom Count	17
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
OR1029457-01	2- (4-Chlorophenoxy) Ethanol
OR1101087-01	2- (4-Chlorophenoxy) -α-methylbenzenemethanol
OR11360-01	4- (2-Chlorophenoxy) iodobenzene
OR15159-01	2- (4-Chlorophenoxy) nicotinaldehyde
OR16163	2- (4-Chlorophenoxy) ethylamine
OR91108-01	2- (4-Chlorophenoxy) benzaldehyde
OR452224-01	2- (4-Chlorophenoxy) -benzylamine
OR11348-01	4- (2-Chlorophenoxy) aniline
OR1059865-01	4- (2-Chlorophenoxy) benzaldehyde
OR12181-01	2- (4-Chlorophenoxy) acetohydrazide

Catalog	Name
sc-305097	2- (3-Chlorophenoxy) nicotinamide
RM-N640904-01	Nicotinamide Impurity 4
TRC-T791315-1G	4-(Trifluoromethyl)nicotinamide
sc-284082	4- (Trifluoromethyl) nicotinamide
HY-Z13803R	Nicotinamide Impurity 4 (Standard)
sc-329744	N- (4-Acetylphenyl) nicotinamide
sc-329861	N- (4-Amino-phenyl) -nicotinamide
QCA16937-01	6-Chloro-4-methyl-nicotinamide
sc-256993	6-Methoxy-4- (trifluoromethyl) nicotinamide
HCA84199-01	2-Chloro-N- (4-fluorophenyl) nicotinamide