Home Halogens 3-(3,5-dichlorophenoxy)propanoic acid

3-(3,5-dichlorophenoxy)propanoic acid

CAS No.:
938118-64-0
Catalog Number:
AG019SW7
Molecular Formula:
C9H8Cl2O3
Molecular Weight:
235.0640
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Product Description
Catalog Number:
AG019SW7
Chemical Name:
3-(3,5-dichlorophenoxy)propanoic acid
CAS Number:
938118-64-0
Molecular Formula:
C9H8Cl2O3
Molecular Weight:
235.0640
MDL Number:
MFCD09704798
IUPAC Name:
3-(3,5-dichlorophenoxy)propanoic acid
InChI:
InChI=1S/C9H8Cl2O3/c10-6-3-7(11)5-8(4-6)14-2-1-9(12)13/h3-5H,1-2H2,(H,12,13)
InChI Key:
KCXNBTVQFJREHK-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1cc(Cl)cc(c1)Cl
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties