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88599-56-8 | Benzoic acid, 5-chloro-2-hydroxy-, 2,5-dichlorophenyl ester
CAS No: 88599-56-8 Catalog No: AG004CJR MDL No:
Product Description
Catalog Number:
AG004CJR
Chemical Name:
Benzoic acid, 5-chloro-2-hydroxy-, 2,5-dichlorophenyl ester
CAS Number:
88599-56-8
Molecular Formula:
C13H7Cl3O3
Molecular Weight:
317.5519
IUPAC Name:
(2,5-dichlorophenyl) 5-chloro-2-hydroxybenzoate
InChI:
InChI=1S/C13H7Cl3O3/c14-7-2-4-11(17)9(5-7)13(18)19-12-6-8(15)1-3-10(12)16/h1-6,17H
InChI Key:
AUUNODVKNQHFRX-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)Oc1cc(Cl)ccc1Cl)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.946g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.546g/mol
Monoisotopic Mass:
315.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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