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88100-72-5 | 2,6-Heptanedione, 3-fluoro-
CAS No: 88100-72-5 Catalog No: AG004G7W MDL No:
Product Description
Catalog Number:
AG004G7W
Chemical Name:
2,6-Heptanedione, 3-fluoro-
CAS Number:
88100-72-5
Molecular Formula:
C7H11FO2
Molecular Weight:
146.1594
IUPAC Name:
3-fluoroheptane-2,6-dione
InChI:
InChI=1S/C7H11FO2/c1-5(9)3-4-7(8)6(2)10/h7H,3-4H2,1-2H3
InChI Key:
BIJADPWLNLPOTN-UHFFFAOYSA-N
SMILES:
CC(=O)CCC(C(=O)C)F
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.161g/mol
Monoisotopic Mass:
146.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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