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7740-65-0 | Octanoic acid, 2-fluoro-, ethyl ester
CAS No: 7740-65-0 Catalog No: AG005BJY MDL No:
Product Description
Catalog Number:
AG005BJY
Chemical Name:
Octanoic acid, 2-fluoro-, ethyl ester
CAS Number:
7740-65-0
Molecular Formula:
C10H19FO2
Molecular Weight:
190.2551
IUPAC Name:
ethyl 2-fluorooctanoate
InChI:
InChI=1S/C10H19FO2/c1-3-5-6-7-8-9(11)10(12)13-4-2/h9H,3-8H2,1-2H3
InChI Key:
NFDMKHDTJTUURN-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)OCC)F
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.258g/mol
Monoisotopic Mass:
190.137g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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