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88599-59-1 | Benzoic acid, 5-chloro-2-hydroxy-, 3-pentadecylphenyl ester
CAS No: 88599-59-1 Catalog No: AG004AQR MDL No:
Product Description
Catalog Number:
AG004AQR
Chemical Name:
Benzoic acid, 5-chloro-2-hydroxy-, 3-pentadecylphenyl ester
CAS Number:
88599-59-1
Molecular Formula:
C28H39ClO3
Molecular Weight:
459.0605
IUPAC Name:
(3-pentadecylphenyl) 5-chloro-2-hydroxybenzoate
InChI:
InChI=1S/C28H39ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-17-15-18-25(21-23)32-28(31)26-22-24(29)19-20-27(26)30/h15,17-22,30H,2-14,16H2,1H3
InChI Key:
FCHJKTBWFNJRKA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCc1cccc(c1)OC(=O)c1cc(Cl)ccc1O
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.259g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
459.067g/mol
Monoisotopic Mass:
458.259g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.4
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