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(2S) -2- (2,4-Dichlorophenoxy) propanoic acid

CAT: 0926-QAA16569-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-QAA16569-01Size:50 mg
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CAS Number
15165-69-2
MDL Number
MFCD17214572
Smiles
CC (C (=O) O) OC1=C (C=C (C=C1) Cl) Cl
Molecular Formula
C9H8Cl2O3
Molecular Weight
235.06 g/mol
Controlled
No

Chemical Information

(S)-Dichlorprop

(S)-dichlorprop is the S- (inactive) enantiomer of dichlorprop. It is a conjugate acid of a (S)-dichlorprop(1-). It is an enantiomer of a (R)-dichlorprop.

CAS Number15165-69-2
PubChem CID84811
IUPAC Name(2S)-2-(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
C[C@@H](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)/t5-/m0/s1
InChIKey
MZHCENGPTKEIGP-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of (S)-Dichlorprop
CAS: 15165-69-2
CID: 84811
Formula: C9H8Cl2O3
MW: 235.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
CS-M-138722- (2,4-Dichlorophenoxy) propanoic acid
sc-344259A3- (2,4-dichlorophenoxy) propanoic acid
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OR1064979-012- (2,6-Dichlorophenoxy) propanoic acid
sc-344350A3- (3,4-dichlorophenoxy) propanoic acid
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