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Home > Fluorides > 137676-79-0
137676-79-0 | Hexadecanoic acid, 3-fluoro-
CAS No: 137676-79-0 Catalog No: AG0013PX MDL No:
Product Description
Catalog Number:
AG0013PX
Chemical Name:
Hexadecanoic acid, 3-fluoro-
CAS Number:
137676-79-0
Molecular Formula:
C16H31FO2
Molecular Weight:
274.4145
IUPAC Name:
3-fluorohexadecanoic acid
InChI:
InChI=1S/C16H31FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15H,2-14H2,1H3,(H,18,19)
InChI Key:
ZSFJKWAIECBKEH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(CC(=O)O)F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.231g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.42g/mol
Monoisotopic Mass:
274.231g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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