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503-55-9 | Ethyl 5,5-Difluorohexanoate
CAS No: 503-55-9 Catalog No: AG01FFFE MDL No:MFCD18379708
Product Description
Catalog Number:
AG01FFFE
Chemical Name:
Ethyl 5,5-Difluorohexanoate
CAS Number:
503-55-9
Molecular Formula:
C8H14F2O2
Molecular Weight:
180.1924
MDL Number:
MFCD18379708
IUPAC Name:
ethyl 5,5-difluorohexanoate
InChI:
InChI=1S/C8H14F2O2/c1-3-12-7(11)5-4-6-8(2,9)10/h3-6H2,1-2H3
InChI Key:
HRPQITWESCANBX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(F)(F)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.096g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.195g/mol
Monoisotopic Mass:
180.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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