2- (3,4-Dichlorophenyl) malondialdehyde

CAT: 0024-sc-305278Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-305278Size:1 g

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CAS Number

849936-29-4

Chemical Information

2-(3,4-Dichlorophenyl)malonaldehyde

CAS Number	849936-29-4
PubChem CID	4342799
IUPAC Name	2-(3,4-dichlorophenyl)propanedial
Molecular Formula	C9H6Cl2O2
Molecular Weight	217.05
XLogP	2.9
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	188

SMILES

C1=CC(=C(C=C1C(C=O)C=O)Cl)Cl

InChI

InChI=1S/C9H6Cl2O2/c10-8-2-1-6(3-9(8)11)7(4-12)5-13/h1-5,7H

InChIKey

FFKPYMPSYNYNAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 849936-29-4

CID: 4342799

Formula: C9H6Cl2O2

MW: 217.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.05
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	215.9744848
Monoisotopic Mass	215.9744848
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	188
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
sc-311633	2- (4-Ethoxyphenyl) malondialdehyde
sc-259196	2- (4-Bromophenyl) malondialdehyde
sc-282642	2- (4-Chlorophenoxy) malondialdehyde
sc-305675	2- (4-Trifluoromethylphenyl) malondialdehyde
sc-259222	2- (4-Methoxyphenyl) malondialdehyde
sc-305673	2- (4-Trifluoromethoxyphenyl) malondialdehyde
sc-256013	2- (4-Phenylphenyl) malondialdehyde
sc-259196A	2- (4-Bromophenyl) malondialdehyde
sc-282642A	2- (4-Chlorophenoxy) malondialdehyde
sc-282663A	2- (4-Fluorophenyl) malondialdehyde

Catalog	Name
OR7636-01	2- (3,4-Dichlorophenyl) malondialdehyde
QCA19228	2- (4-Methoxyphenyl) malondialdehyde
OR7638-01	2- (4-Ethoxyphenyl) malondialdehyde
TAA91553	2- (4-Nitrophenyl) malondialdehyde
BCA07646	2- (4-Pyridyl) malondialdehyde
OR7653-01	2- (4-Phenylphenyl) malondialdehyde
JDB64868	2- (4-Bromophenyl) malondialdehyde
DBA64878	2- (4-Pyrimidyl) malondialdehyde
OR3325	2- (4-Methylphenyl) malondialdehyde
384956	Malondialdehyde (Malondialdehyde, MDA, Malondialdehyde (MDA), Malonic Aldehyde Propanedial, 1,3-Propanedial, Malonaldehyde)