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119024-29-2 | Acetic acid, 2-(3,5-dichlorophenoxy)-, ethyl ester
CAS No: 119024-29-2 Catalog No: AG000P2J MDL No:
Product Description
Catalog Number:
AG000P2J
Chemical Name:
Acetic acid, 2-(3,5-dichlorophenoxy)-, ethyl ester
CAS Number:
119024-29-2
Molecular Formula:
C10H10Cl2O3
Molecular Weight:
249.0906
IUPAC Name:
ethyl 2-(3,5-dichlorophenoxy)acetate
InChI:
InChI=1S/C10H10Cl2O3/c1-2-14-10(13)6-15-9-4-7(11)3-8(12)5-9/h3-5H,2,6H2,1H3
InChI Key:
NJTHTJOETFCNRO-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1cc(Cl)cc(c1)Cl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.087g/mol
Monoisotopic Mass:
248.001g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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