2',5'-Dichloroacetoacetanilide

CAT: 0127-OR1029664-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1029664-01Size:5 g

Selected

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

Quick Request Actions

CAS Number

2044-72-6

Synonyms

N- (2,5-dichlorophenyl) -3-oxobutanamide

Purity

98%

Smiles

CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)Cl

Chemical Information

Butanamide, N-(2,5-dichlorophenyl)-3-oxo-

CAS Number	2044-72-6
PubChem CID	74890
IUPAC Name	N-(2,5-dichlorophenyl)-3-oxobutanamide
Molecular Formula	C10H9Cl2NO2
Molecular Weight	246.09
XLogP	2.6
Topological Polar Surface Area	46.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	258

SMILES

CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C10H9Cl2NO2/c1-6(14)4-10(15)13-9-5-7(11)2-3-8(9)12/h2-3,5H,4H2,1H3,(H,13,15)

InChIKey

HLMZZYYGOKOOTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2044-72-6

CID: 74890

Formula: C10H9Cl2NO2

MW: 246.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.09
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	245.0010339
Monoisotopic Mass	245.0010339
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	258
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
OR1079314	5,5'''-Dihexyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1079313	5,5'''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1079310	5,5'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1042721-01	[2,2':5',2''-Terthiophene]-5,5''-dicarboxaldehyde
OR1025484-01	5,5''-Diiodo-2,2':5',2''-Terthiophene
OR92625-01	5,5''-Dibromo-2,2':5',2''-terthiophene
OR1051600	5,5'''-Di-n-octyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1053628-01	2,2,5,5-Tetramethylcyclopentanone
OR1009882-01	2,2,5,5-Tetramethyltetrahydrofuran
OR1053063-01	1,2,5-Oxadithiolane 2,2,5,5-tetraoxide

Catalog	Name
sc-266267	2',5'-Dichloroacetoacetanilide
sc-227020	5,5''-Dibromo-2,2':5',2''-terthiophene
sc-477057	2,2':5',2''-Terthiophene-5,5''-dicarboxaldehyde
sc-474109	2,2′:5′,2′′:5′′,2′′′-Quaterthiophene
FT170758-01	2,2',5,5'-Tetrachlorobiphenyl
sc-475235	2,2',5,5'-Tetrachlorobenzidine
AR-M03186-01	2,2,5,5-Tetramethyloxolane
sc-265954	2,2',5,5'-Tetramethylbiphenyl
437368-01	5''-Bromo-[2,2':5',2''-terthiophene]-5-carbaldehyde
JH180814	[2,2':5',2''-Terthiophene]-5,5''-diylbis[triMethylstannane]