Home Halogens 4-(3-chlorophenoxy)benzoic acid

4-(3-chlorophenoxy)benzoic acid

CAS No.:
1145-58-0
Catalog Number:
AG009LXP
Molecular Formula:
C13H9ClO3
Molecular Weight:
248.6618
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Product Description
Catalog Number:
AG009LXP
Chemical Name:
4-(3-chlorophenoxy)benzoic acid
CAS Number:
1145-58-0
Molecular Formula:
C13H9ClO3
Molecular Weight:
248.6618
MDL Number:
MFCD11122181
IUPAC Name:
4-(3-chlorophenoxy)benzoic acid
InChI:
InChI=1S/C13H9ClO3/c14-10-2-1-3-12(8-10)17-11-6-4-9(5-7-11)13(15)16/h1-8H,(H,15,16)
InChI Key:
KFOAXWSLHHLZQB-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Oc1ccc(cc1)C(=O)O
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.024g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.662g/mol
Monoisotopic Mass:
248.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties