Home Halogens (2S)-2-(2,4-dichlorophenoxy)propanoic acid

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

CAS No.:
15165-69-2
Catalog Number:
AG00B4TN
Molecular Formula:
C9H8Cl2O3
Molecular Weight:
235.0640
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Product Description
Catalog Number:
AG00B4TN
Chemical Name:
(2S)-2-(2,4-dichlorophenoxy)propanoic acid
CAS Number:
15165-69-2
Molecular Formula:
C9H8Cl2O3
Molecular Weight:
235.0640
MDL Number:
MFCD17214572
IUPAC Name:
(2S)-2-(2,4-dichlorophenoxy)propanoic acid
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
InChI Key:
MZHCENGPTKEIGP-YFKPBYRVSA-N
SMILES:
OC(=O)[C@@H](Oc1ccc(cc1Cl)Cl)C
UNII:
P7O13FFA3V
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
233.985g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.06g/mol
Monoisotopic Mass:
233.985g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Enantioselective oxidative damage of chiral pesticide dichlorprop to maize. Journal of agricultural and food chemistry 20110427
Properties