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2630-16-2

2630-16-2 | Acetic acid, 2-(2,4,5-trichlorophenoxy)-, nonyl ester

CAS No: 2630-16-2 Catalog No: AG002SMV MDL No:

Product Description

Catalog Number:
AG002SMV
Chemical Name:
Acetic acid, 2-(2,4,5-trichlorophenoxy)-, nonyl ester
CAS Number:
2630-16-2
Molecular Formula:
C17H23Cl3O3
Molecular Weight:
381.7217
IUPAC Name:
nonyl 2-(2,4,5-trichlorophenoxy)acetate
InChI:
InChI=1S/C17H23Cl3O3/c1-2-3-4-5-6-7-8-9-22-17(21)12-23-16-11-14(19)13(18)10-15(16)20/h10-11H,2-9,12H2,1H3
InChI Key:
UTOAPAMXUSPJLF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl
EC Number:
220-110-4
UNII:
50XR85X7PZ

Properties

Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.071g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.718g/mol
Monoisotopic Mass:
380.071g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6  

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