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1443345-29-6 | Ethyl 4-(4-chloro-2-fluoro-phenoxy)butanoate
CAS No: 1443345-29-6 Catalog No: AG01FAPU MDL No:
Product Description
Catalog Number:
AG01FAPU
Chemical Name:
Ethyl 4-(4-chloro-2-fluoro-phenoxy)butanoate
CAS Number:
1443345-29-6
Molecular Formula:
C12H14ClFO3
Molecular Weight:
260.6892
IUPAC Name:
ethyl 4-(4-chloro-2-fluorophenoxy)butanoate
InChI:
InChI=1S/C12H14ClFO3/c1-2-16-12(15)4-3-7-17-11-6-5-9(13)8-10(11)14/h5-6,8H,2-4,7H2,1H3
InChI Key:
ZKXBGAXUGICZLP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1ccc(cc1F)Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.689g/mol
Monoisotopic Mass:
260.062g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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