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1578-58-1 | Heptanoic acid, 2-fluoro-
CAS No: 1578-58-1 Catalog No: AG001PQ0 MDL No:
Product Description
Catalog Number:
AG001PQ0
Chemical Name:
Heptanoic acid, 2-fluoro-
CAS Number:
1578-58-1
Molecular Formula:
C7H13FO2
Molecular Weight:
148.1753
IUPAC Name:
2-fluoroheptanoic acid
InChI:
InChI=1S/C7H13FO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChI Key:
SZKQQZKIGFBZHS-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)O)F
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.177g/mol
Monoisotopic Mass:
148.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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