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115607-36-8 | Acetic acid, 2-(2,4-dichloro-5-pentadecylphenoxy)-
CAS No: 115607-36-8 Catalog No: AG000G8L MDL No:
Product Description
Catalog Number:
AG000G8L
Chemical Name:
Acetic acid, 2-(2,4-dichloro-5-pentadecylphenoxy)-
CAS Number:
115607-36-8
Molecular Formula:
C23H36Cl2O3
Molecular Weight:
431.4361
IUPAC Name:
2-(2,4-dichloro-5-pentadecylphenoxy)acetic acid
InChI:
InChI=1S/C23H36Cl2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-22(28-18-23(26)27)21(25)17-20(19)24/h16-17H,2-15,18H2,1H3,(H,26,27)
InChI Key:
VHRCECSNKOXOSJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCc1cc(OCC(=O)O)c(cc1Cl)Cl
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.204g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.438g/mol
Monoisotopic Mass:
430.204g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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