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149609-34-7 | Benzoic acid, 3-(3,5-dichlorophenoxy)-
CAS No: 149609-34-7 Catalog No: AG001LVH MDL No:
Product Description
Catalog Number:
AG001LVH
Chemical Name:
Benzoic acid, 3-(3,5-dichlorophenoxy)-
CAS Number:
149609-34-7
Molecular Formula:
C13H8Cl2O3
Molecular Weight:
283.1068
IUPAC Name:
3-(3,5-dichlorophenoxy)benzoic acid
InChI:
InChI=1S/C13H8Cl2O3/c14-9-5-10(15)7-12(6-9)18-11-3-1-2-8(4-11)13(16)17/h1-7H,(H,16,17)
InChI Key:
FCFFUYCURTYWPN-UHFFFAOYSA-N
SMILES:
Clc1cc(Oc2cccc(c2)C(=O)O)cc(c1)Cl
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.985g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.104g/mol
Monoisotopic Mass:
281.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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