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142072-09-1 | Acetic acid, 2-fluoro-2-oxo-, cyclohexyl ester
CAS No: 142072-09-1 Catalog No: AG001HPC MDL No:
Product Description
Catalog Number:
AG001HPC
Chemical Name:
Acetic acid, 2-fluoro-2-oxo-, cyclohexyl ester
CAS Number:
142072-09-1
Molecular Formula:
C8H11FO3
Molecular Weight:
174.1695
IUPAC Name:
cyclohexyl 2-fluoro-2-oxoacetate
InChI:
InChI=1S/C8H11FO3/c9-7(10)8(11)12-6-4-2-1-3-5-6/h6H,1-5H2
InChI Key:
FONAKDDPRGERNQ-UHFFFAOYSA-N
SMILES:
O=C(C(=O)F)OC1CCCCC1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.171g/mol
Monoisotopic Mass:
174.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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