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Home > Fluorides > 122957-70-4
122957-70-4 | Pentanoic acid, 2-fluoro-3-methyl-, ethyl ester
CAS No: 122957-70-4 Catalog No: AG000JTP MDL No:
Product Description
Catalog Number:
AG000JTP
Chemical Name:
Pentanoic acid, 2-fluoro-3-methyl-, ethyl ester
CAS Number:
122957-70-4
Molecular Formula:
C8H15FO2
Molecular Weight:
162.2019
IUPAC Name:
ethyl 2-fluoro-3-methylpentanoate
InChI:
InChI=1S/C8H15FO2/c1-4-6(3)7(9)8(10)11-5-2/h6-7H,4-5H2,1-3H3
InChI Key:
ZIJKMTOQZPLJFE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(CC)C)F
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.106g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.204g/mol
Monoisotopic Mass:
162.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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