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1443330-55-9 | Ethyl 4-(3-chloro-4-fluoro-phenoxy)butanoate
CAS No: 1443330-55-9 Catalog No: AG01FAPG MDL No:
Product Description
Catalog Number:
AG01FAPG
Chemical Name:
Ethyl 4-(3-chloro-4-fluoro-phenoxy)butanoate
CAS Number:
1443330-55-9
Molecular Formula:
C12H14ClFO3
Molecular Weight:
260.6892
IUPAC Name:
ethyl 4-(3-chloro-4-fluorophenoxy)butanoate
InChI:
InChI=1S/C12H14ClFO3/c1-2-16-12(15)4-3-7-17-9-5-6-11(14)10(13)8-9/h5-6,8H,2-4,7H2,1H3
InChI Key:
XZFGYLDINHRRDQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1ccc(c(c1)Cl)F
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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