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689299-86-3 | Ethyl 2-[2-chloro-4-(trifluoromethyl)-phenoxy]acetate
CAS No: 689299-86-3 Catalog No: AG01F8CQ MDL No:
Product Description
Catalog Number:
AG01F8CQ
Chemical Name:
Ethyl 2-[2-chloro-4-(trifluoromethyl)-phenoxy]acetate
CAS Number:
689299-86-3
Molecular Formula:
C11H10ClF3O3
Molecular Weight:
282.6435
IUPAC Name:
ethyl 2-[2-chloro-4-(trifluoromethyl)phenoxy]acetate
InChI:
InChI=1S/C11H10ClF3O3/c1-2-17-10(16)6-18-9-4-3-7(5-8(9)12)11(13,14)15/h3-5H,2,6H2,1H3
InChI Key:
CXSIMSGMFSCUMV-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.643g/mol
Monoisotopic Mass:
282.027g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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