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7462-16-0 | ETHYL 2-(2,4-DICHLOROPHENOXY)HEPTANOATE
CAS No: 7462-16-0 Catalog No: AG005J2E MDL No:
Product Description
Catalog Number:
AG005J2E
Chemical Name:
ETHYL 2-(2,4-DICHLOROPHENOXY)HEPTANOATE
CAS Number:
7462-16-0
Molecular Formula:
C15H20Cl2O3
Molecular Weight:
319.2235
IUPAC Name:
ethyl 2-(2,4-dichlorophenoxy)heptanoate
InChI:
InChI=1S/C15H20Cl2O3/c1-3-5-6-7-14(15(18)19-4-2)20-13-9-8-11(16)10-12(13)17/h8-10,14H,3-7H2,1-2H3
InChI Key:
TXXLNSFJTZKNCK-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)OCC)Oc1ccc(cc1Cl)Cl
NSC Number:
404171
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.222g/mol
Monoisotopic Mass:
318.079g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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