Name: Name:Acetic acid, 2-(2,4,5-trichlorophenoxy)-, isooctyl ester
Brand: Angene
SKU: AG002QQA
Rating: 90 (10 reviews)

Acetic acid, 2-(2,4,5-trichlorophenoxy)-, isooctyl ester

CAS No.:

25168-15-4

Catalog Number:

AG002QQA

Molecular Formula:

C16H21Cl3O3

Molecular Weight:

367.6951

Catalog Number:

AG002QQA

Chemical Name:

Acetic acid, 2-(2,4,5-trichlorophenoxy)-, isooctyl ester

CAS Number:

25168-15-4

Molecular Formula:

C16H21Cl3O3

Molecular Weight:

367.6951

MDL Number:

MFCD00082994

IUPAC Name:

6-methylheptyl 2-(2,4,5-trichlorophenoxy)acetate

InChI:

InChI=1S/C16H21Cl3O3/c1-11(2)6-4-3-5-7-21-16(20)10-22-15-9-13(18)12(17)8-14(15)19/h8-9,11H,3-7,10H2,1-2H3

InChI Key:

LRDPQMJVRJVAOH-UHFFFAOYSA-N

SMILES:

CC(CCCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl)C

EC Number:

246-700-1

UNII:

K5K0WAR4MW

UN Number:

3345

Complexity:

326

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

366.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

367.691g/mol

Monoisotopic Mass:

366.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.8