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1928-44-5 | Acetic acid, 2-(2,4-dichlorophenoxy)-, octyl ester
CAS No: 1928-44-5 Catalog No: AG002GBX MDL No:MFCD01672139
Product Description
Catalog Number:
AG002GBX
Chemical Name:
Acetic acid, 2-(2,4-dichlorophenoxy)-, octyl ester
CAS Number:
1928-44-5
Molecular Formula:
C16H22Cl2O3
Molecular Weight:
333.2501
MDL Number:
MFCD01672139
IUPAC Name:
octyl 2-(2,4-dichlorophenoxy)acetate
InChI:
InChI=1S/C16H22Cl2O3/c1-2-3-4-5-6-7-10-20-16(19)12-21-15-9-8-13(17)11-14(15)18/h8-9,11H,2-7,10,12H2,1H3
InChI Key:
JWEDKKSQRXHXJD-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)COc1ccc(cc1Cl)Cl
EC Number:
217-674-9
UNII:
NC48Z1B15S
NSC Number:
78930
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.249g/mol
Monoisotopic Mass:
332.095g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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