Home Halogens 2-(2-benzyl-4-chlorophenoxy)propanoic acid

2-(2-benzyl-4-chlorophenoxy)propanoic acid

CAS No.:
13794-03-1
Catalog Number:
AG01EKIV
Molecular Formula:
C16H15ClO3
Molecular Weight:
290.7415
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Product Description
Catalog Number:
AG01EKIV
Chemical Name:
2-(2-benzyl-4-chlorophenoxy)propanoic acid
CAS Number:
13794-03-1
Molecular Formula:
C16H15ClO3
Molecular Weight:
290.7415
MDL Number:
MFCD09050611
IUPAC Name:
2-(2-benzyl-4-chlorophenoxy)propanoic acid
InChI:
InChI=1S/C16H15ClO3/c1-11(16(18)19)20-15-8-7-14(17)10-13(15)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,18,19)
InChI Key:
BCTZOGLOMWLHGD-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1ccc(cc1Cc1ccccc1)Cl)C
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.071g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.743g/mol
Monoisotopic Mass:
290.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties