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137442-09-2

137442-09-2 | Heptadecanoic acid, 17-fluoro-3-methyl-

CAS No: 137442-09-2 Catalog No: AG0013A5 MDL No:

Product Description

Catalog Number:
AG0013A5
Chemical Name:
Heptadecanoic acid, 17-fluoro-3-methyl-
CAS Number:
137442-09-2
Molecular Formula:
C18H35FO2
Molecular Weight:
302.4677
IUPAC Name:
17-fluoro-3-methylheptadecanoic acid
InChI:
InChI=1S/C18H35FO2/c1-17(16-18(20)21)14-12-10-8-6-4-2-3-5-7-9-11-13-15-19/h17H,2-16H2,1H3,(H,20,21)
InChI Key:
DXJUVIXSSUYILQ-UHFFFAOYSA-N
SMILES:
FCCCCCCCCCCCCCCC(CC(=O)O)C

Properties

Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.262g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
302.474g/mol
Monoisotopic Mass:
302.262g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5  

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