Home Halogens Benzoic acid, 3-(4-chlorophenoxy)-

Benzoic acid, 3-(4-chlorophenoxy)-

CAS No.:
129764-91-6
Catalog Number:
AG000TNN
Molecular Formula:
C13H9ClO3
Molecular Weight:
248.6618
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Product Description
Catalog Number:
AG000TNN
Chemical Name:
Benzoic acid, 3-(4-chlorophenoxy)-
CAS Number:
129764-91-6
Molecular Formula:
C13H9ClO3
Molecular Weight:
248.6618
MDL Number:
MFCD06203217
IUPAC Name:
3-(4-chlorophenoxy)benzoic acid
InChI:
InChI=1S/C13H9ClO3/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8H,(H,15,16)
InChI Key:
ICBGRQBEFICVLK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Oc1cccc(c1)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