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2- (2,4-Dichlorophenoxy) propionic Acid

CAT: 0127-OR1078255Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1078255Size:25 g
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CAS Number
120-36-5
Synonyms
Dichlorprop
MDL Number
MFCD00002645
Purity
>98.0%
Smiles
CC (C (=O) O) OC1=C (C=C (C=C1) Cl) Cl

Chemical Information

Dichlorprop

2-(2,4-dichlorophenoxy)propanoic acid is an aromatic ether that is 2-hydroxypropanoic acid in which the hydroxy group at position 2 has been converted to its 2,4-dichlorophenyl ether. It is a dichlorobenzene, a monocarboxylic acid and an aromatic ether.

CAS Number120-36-5
PubChem CID8427
IUPAC Name2-(2,4-dichlorophenoxy)propanoic acid
Molecular FormulaC9H8Cl2O3
Molecular Weight235.06
XLogP3.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity210
SMILES
CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
InChIKey
MZHCENGPTKEIGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dichlorprop
CAS: 120-36-5
CID: 8427
Formula: C9H8Cl2O3
MW: 235.06
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight235.06
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass233.9850495
Monoisotopic Mass233.9850495
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes