Home Halogens 3-(4-chloro-3-fluorophenoxy)propanoic acid

3-(4-chloro-3-fluorophenoxy)propanoic acid

CAS No.:
1499920-96-5
Catalog Number:
AG01B4YB
Molecular Formula:
C9H8ClFO3
Molecular Weight:
218.6094
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Product Description
Catalog Number:
AG01B4YB
Chemical Name:
3-(4-chloro-3-fluorophenoxy)propanoic acid
CAS Number:
1499920-96-5
Molecular Formula:
C9H8ClFO3
Molecular Weight:
218.6094
MDL Number:
MFCD24292610
IUPAC Name:
3-(4-chloro-3-fluorophenoxy)propanoic acid
InChI:
InChI=1S/C9H8ClFO3/c10-7-2-1-6(5-8(7)11)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)
InChI Key:
MXWCSIQMIPQHNF-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1ccc(c(c1)F)Cl
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.608g/mol
Monoisotopic Mass:
218.015g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties