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1443342-67-3 | Ethyl 5-(3-chloro-2-fluoro-phenoxy)pentanoate
CAS No: 1443342-67-3 Catalog No: AG01FAF6 MDL No:
Product Description
Catalog Number:
AG01FAF6
Chemical Name:
Ethyl 5-(3-chloro-2-fluoro-phenoxy)pentanoate
CAS Number:
1443342-67-3
Molecular Formula:
C13H16ClFO3
Molecular Weight:
274.7157
IUPAC Name:
ethyl 5-(3-chloro-2-fluorophenoxy)pentanoate
InChI:
InChI=1S/C13H16ClFO3/c1-2-17-12(16)8-3-4-9-18-11-7-5-6-10(14)13(11)15/h5-7H,2-4,8-9H2,1H3
InChI Key:
ZGGVWPUPXKQWGD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCOc1cccc(c1F)Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.716g/mol
Monoisotopic Mass:
274.077g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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