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1443354-53-7 | Ethyl 4-(3-chloro-2-fluoro-phenoxy)butanoate
CAS No: 1443354-53-7 Catalog No: AG01FAQA MDL No:
Product Description
Catalog Number:
AG01FAQA
Chemical Name:
Ethyl 4-(3-chloro-2-fluoro-phenoxy)butanoate
CAS Number:
1443354-53-7
Molecular Formula:
C12H14ClFO3
Molecular Weight:
260.6892
IUPAC Name:
ethyl 4-(3-chloro-2-fluorophenoxy)butanoate
InChI:
InChI=1S/C12H14ClFO3/c1-2-16-11(15)7-4-8-17-10-6-3-5-9(13)12(10)14/h3,5-6H,2,4,7-8H2,1H3
InChI Key:
LLZBBVZITKVAGQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1cccc(c1F)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:
3.2
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